Preferred Position Research Articles

Combating Sociopolitical Contagion with Countervailing Claims: Evidence from Charlottesville

Prior research suggests that, from a strategic perspective, firms make sociopolitical claims to compensate when their own actions misalign with the sociopolitical preferences of their stakeholders. Drawing on theories of intracategorical contagion, however, I propose conditions under which firms make sociopolitical claims not to compensate for their own actions, but rather to compensate for the actions of others within the broader categories to which they pertain (such as others within their geographic location, industry, etc.). Specifically, I argue that sociopolitical claims serve to remedy excessive misalignment between stakeholders' preferred sociopolitical positions, and the sociopolitical positions these stakeholders would otherwise presume the firm holds based on the actions of other actors within the firm's category. I examine these predictions in the context of the August 2017 Unite the Right rally, in which white supremacist rioters suddenly imbued the Charlottesville, Virginia area with a newfound anti-diversity reputation. I show these events significantly increased employers' use of pro-diversity claims in Charlottesville-area job postings, and that this effect was larger among postings targeting workers with stronger pro-diversity preferences. These empirical findings substantiate my novel theoretical argument that, ceteris paribus, corporate claims to sociopolitical positions are most likely to arise in geographies, industries, and other categories in which audiences least expect these positions to be held.

The Amsterdam UMC protocol for computer-assisted mandibular and maxillary reconstruction; A cadaveric study

ObjectivesIn this cadaveric study, the accuracy of CAS guided mandibular and maxillary reconstruction including immediate dental implant placement in different Brown defect classes is assessed. Materials and methodsThe virtual planning and surgical procedure was conducted according to a newly proposed Amsterdam UMC reconstruction protocol. Postoperative evaluation was performed according to a previously proposed evaluation guideline. ResultsFourteen mandibular and 6 maxillary reconstructions were performed. Average mandibular angle deviations were 1.52°±1.32, 1.85°±1.58, 1.37°±1.09, 1.78°±1.37, 2.43°±1.52 and 2.83°±2.37, respectively for the left and right axial angles, left and right coronal angles and left and right sagittal angles. A total of 62 dental implants were placed in neomandibles with an average dXYZ values of 3.68 ± 2.21 mm and 16 in neomaxillas with an average dXYZ values of 3.24 ± 1.7 mm. ConclusionPromising levels of accuracy were achieved for all mandibular angles. Dental implant positions approached the preoperative preferred positions well, within the margin to manufacture prosthetic devices.

Formulation and evaluation of orlistat loaded microsponges for the treatment of obesity

The motivation behind this investigation was to design novel drug delivery system containing orlistat micro sponges. Microsponges containing orlistat and Ethyl cellulose/ Eudragit RS 100 prepared by quasi emulsion solvent diffusion (Technique) method. The formulations were prepared step by step increases Drug: polymer ratio. The particle size (Malvern analyzer), Surface Morphology and structure examination (SEM) Production yield, Drug entrapment Efficiency and in vitro drug release studied of microsponges were examined. Shape or surface morphology and topography of the orlistat microsponges were examined by scanning electron microscopy. The drug orlistat disperse in GIT for better therapeutic effect as microsponges disperse freely in GIT. To improve absorption of orlistat so as to enhance bioavailability, micro sponges is used as delivery systems which show better absorption and bioavailability then other dosage form of orlistat. The particle size were prepared microsponges was observed in the range of 50.45 ± 0.85µm to 57.77 ± 1.35µm. The drug entrapment of the orlistat microsponges was observed in the range of 73.23 ± 0.23 to 83.41 ± 1.17 % The in vitro drug release study of the microsponges over 8 hour range from 59.28 ± 0.41% to 73.16 ± 0.89 %. The objective of this research work was to formulation and evaluation of orlistat loaded microsponges for management of obesity disease. Microsponges drug delivery system landscape have been highly and rapidly evolving. They are allowing for novel product form. Microsponges are safe biologically and extraordinary preferred position programmable release. This delivery system are being integrated to optimize the efficacy or free streaming effectiveness treatment.

Characteristic fixation biases in Super-Recognizers.

Neurotypical observers show large and reliable individual differences in gaze behavior along several semantic object dimensions. Individual gaze behavior toward faces has been linked to face identity processing, including that of neurotypical observers. Here, we investigated potential gaze biases in Super-Recognizers (SRs), individuals with exceptional face identity processing skills. Ten SRs, identified with a novel conservative diagnostic framework, and 43 controls freely viewed 700 complex scenes depicting more than 5000 objects. First, we tested whether SRs and controls differ in fixation biases along four semantic dimensions: faces, text, objects being touched, and bodies. Second, we tested potential group differences in fixation biases toward eyes and mouths. Finally, we tested whether SRs fixate closer to the theoretical optimal fixation point for face identification. SRs showed a stronger gaze bias toward faces and away from text and touched objects, starting from the first fixation onward. Further, SRs spent a significantly smaller proportion of first fixations and dwell time toward faces on mouths but did not differ in dwell time or first fixations devoted to eyes. Face fixation of SRs also fell significantly closer to the theoretical optimal fixation point for identification, just below the eyes. Our findings suggest that reliable superiority for face identity processing is accompanied by early fixation biases toward faces and preferred saccadic landing positions close to the theoretical optimum for face identification. We discuss future directions to investigate the functional basis of individual fixation behavior and face identity processing ability.

The Ideal Nasion in Chinese: A Preference Analysis of the General Population.

Augmentation rhinoplasty has gained popularity in China in the past decades and nasion profile is a key variable in aesthetic outcomes. The nasion is the deepest portion of the nasofrontal groove and its aesthetic preferences vary between different ethnic groups. At the time of this writing, there is limited research about ideal nasion measurements in the Chinese population. Therefore, we conducted an online survey of plastic surgeons and the public through social media. Participants were asked to rank nasion images according to their preferences. Images were created from a 3-dimensional scan of a Chinese Han female and modified to show various dimensions of nasion height, position, and forehead height. Nasion preferences were compared by age, sex, ethnicity, occupation, and whether had a history of plastic surgery. There were 777 respondents, including 461 (59.3%) women and 74 (9.5%) plastic surgeons. Nasion height of 8 and 10mm ranked highest among all demographic groups. All respondents preferred nasion position to be level with the center of the pupil and forehead height of 4mm above the nasion. Our study showed that the ideal Chinese nasion is in line with baseline ethnic characteristics. Therefore, plastic surgeons must be aware of these nasion preferences to guide preoperative discussions and achieve satisfactory outcomes.

O099 Position and number of anchors in hip arthroscopy labrum repair: a systematic review

Abstract Introduction Hip labral tears are reported in 22–55% of patients with hip or groin pain. Operative treatment is necessary for most cases, via hip arthroscopy with the use of suture anchors. This systematic review aims to determine the optimal number and position of anchors in hip labral repair. Methods Pubmed, Ovid & Embase were searched, and 2 researchers independently screened the 1,304 results. Outcome measures such as procedures performed, number & (clockface) position of anchors, failure & articular involvement of anchors were extracted. Results 5 studies were included in the analysis: 1 Cross-Sectional Study (1645 Hips, mean age (MA):33.7 years), 3 Retrospective case studies (491 hips, MA:31.0) and 1 Controlled Cadaveric study (32 cadaveric hips, MA:62.7). Chi-squared statistical analysis of 323 hips found a significant difference (X2 (2, N = 323) = 17.88, p < .001) in the risk of articular involvement with the position of anchors at 11°-12° o’clock, 1°-2° and 3°-4°. There is an absolute risk reduction (ARR) of 19% with anchors positioned at 11°-12° compared to anchors positioned at 3°-4° (X2 (1, N=178) =15.79, p < .001) and an ARR of 12% with anchors at 1°-2° compared to anchors positioned at 3°-4° (X2 (1, N = 237) = 15.79, p < .0109). Additionally, by assessing 1645 operations it was found that for tears spanning >2 hours, a minimum of 2 anchors was placed. Conclusion Placement of anchors in the 3°-4° o’clock position carries the highest risk for articular involvement. Small diameter anchors and careful placement can be used to minimize articular injury. Preferable positions of anchors are 11°-12°, furthermore, for tears spanning over 2 hours, a minimum of 2 anchors was placed. Take-home message In Hip Arthroscopy labral repair, placement of anchors in the 3°-4° o’clock position carries the highest risk for articular involvement. Small diameter anchors and 2 hours. flexible anchor instrumentation can be used to minimize articular injury, furthermore, for tears spanning over 2 hours, a minimum of 2 anchors was placed.

An assessment of perception of attractive profiles after altering tooth inclination and mandibular anterior repositioning on the photographs

Facial profile disharmonies in the anteroposterior (AP) position of the mandible is among the most frequent reasons that patients seek orthodontic treatment. Although previous studies of profile esthetics have mainly focused on the position or the inclination of the maxillary incisors in profile views with normal mandibular positions, to our knowledge, no studies have yet evaluated the esthetic effects of maxillary incisor inclination in relation to different mandibular positions in male and female individuals for smile profile. The objective of this study is to evaluate the significant relationship between preferred tooth position in relation to different mandibular positions in male and female subjects’ smile profiles. A right lateral profile and frontal view photograph with the patient in a natural head position. Smile parameters will be evaluated and recorded. These smiling photographs will be altered using a commercially available image editing software program (Adobe Photoshop CS, version 8.0; Adobe Systems). The number of photographs that will be available after alteration and given to the judges to rate the attractiveness of each. The data thus obtained will be put to significant statistical analysis and the results thus obtained will be carried out to achieve the aim and objective of the study.

Construction and application of automobile user portrait based on k-mean clustering model

Abstract In the field of computer vision development, the core problem is how to obtain high-level semantic information from the lowest level of original video data, and make a correct understanding. At present, the research topics proposed at home and abroad are mainly focused on the visual analysis of moving objects. Especially for image research in automobile field, visual analysis of moving objects is one of the most common topics. Its focus is to use computer vision technology to detect moving objects, and describe and understand them after tracking and recognizing relevant user portraits and behaviors. In this paper, taking vehicle driving posture preference as an example, linear dimension parameters were used instead of human joint Angle parameters to simply present the driving posture of vehicle users, and corresponding dimension parameters were obtained to present the driving posture characteristics of vehicle users. By inviting 50 drivers to participate in the test of driving attitude preference, cluster analysis was carried out on three sample data representing upper body attitude, and the clustering results were presented by combining with three-dimensional images. The final results show that the k-means clustering model can eliminate the influence of body size difference, accurately distinguish the preference characteristics of driving posture, and scientifically design steering wheel and car seat according to the measurement data of target users.

Thermostability engineering of industrial enzymes through structure modification.

Thermostability is an essential requirement of enzymes in the industrial processes to catalyze the reactions at high temperatures; thus, enzyme engineering through directed evolution, semi-rational design and rational design are commonly employed to construct desired thermostable mutants. Several strategies are implemented to fulfill enzymes' thermostability demand including decreasing the entropy of the unfolded state through substitutions Gly → Xxx or Xxx → Pro, hydrogen bond, salt bridge, introducing two different simultaneous interactions through single mutant, hydrophobic interaction, filling the hydrophobic cavity core, decreasing surface hydrophobicity, truncating loop, aromatic-aromatic interaction and introducing positively charged residues to enzyme surface. In the current review, horizons about compatibility between secondary structures and substitutions at preferable structural positions to generate the most desirable thermostability in industrial enzymes are broadened. KEY POINTS: • Protein engineering is a powerful tool for generating thermostable industrial enzymes. • Directed evolution and rational design are practical approaches in enzyme engineering. • Substitutions in preferable structural positions can increase thermostability.

Konsep Jenis Lembaga Jaminan Utang Pada koperasi

In the practice of binding debt guarantees in the Rukun Mekar Savings and Loans Cooperative, there is a conflict between das sollen and das sein, or there is an imbalance between reality/empirical and ideal conditions, namely, regarding the provision of loans with collateral without being encumbered by mortgage or fiduciary rights. The reason for this is that the process of imposing mortgage rights, or fiduciary, is not a simple process, takes a long time and costs a lot of money. Based on these problems, this study aims to find out about the concept of types of debt guarantee institutions in cooperatives, which are different from mortgages, fiduciaries, pledges, mortgages, and warehouse receipts. The research specification is descriptive analytical, with a normative juridical approach, using the main source of secondary data, and the research is carried out in one stage, namely, library research, which is supported by interviews using data collection techniques consisting of library research and interviews, then secondary data and interviews. The results of the interviews inventoried were analyzed qualitatively normatively. This study found the results: the concept of a type of debt guarantee institution in cooperatives, is a concept that offers debt guarantee institutions that apply specifically to cooperatives that are different from mortgage, fiduciary, mortgage, mortgage, and warehouse receipt institutions, the agreement is made in the form of a deed. under a binding hand, the object of the guarantee is all objects, whether movable or immovable, tangible or intangible, whether existing or will be owned by the borrower, which gives a preferred position to the cooperative, the process is simple, fast, low cost, and also has the executive power of slag, namely the object of debt guarantees can be executed by force by the cooperative, if the borrower defaults, without the need for a civil court process, so as to provide legal certainty, justice, and benefit to the parties, especially the cooperatives.

Arduino UNO Based Wheelchair Control using Bluetooth and Android Mobile

The main goal of this project is to design and construct a low-cost wheelchair control system that uses an Android phone. Patients with diverse physical limitations have relied on wheelchairs to assist them with movement and to meet their day-to-day prerequisites. However, in other circumstances, the mobility of a wheelchair is dependent on another person. It includes people who are unable to lift their arms or push the wheels forward, such as paraplegics, quadriplegics, stroke patients, the elderly, and others. Joystick-oriented wheelchairs, which are supposed to be a solution for these people, might cause a variety of issues since they demand fundamental shoulder mobility. For the categories described above of patients, this is not always practicable. Furthermore, because it is wireless and can be worn on either hand, this solution does not have the positioning restrictions that a joystick wheelchair could have, allowing the user to sit in their preferred posture for the least amount of pain. The goal of this initiative is to enable autonomous mobility for people with disabilities. Thus, this research study provides a Bluetooth-based wheelchair prototype that maybe operated by an Android smartphone application. A transmitter and a receiver that can communicate wirelessly makeup the framework. The 433 Mhz RF Transmitter and Receiver Unit was utilized for wireless transmission since it delivers data through an antenna at speeds ranging from 1Kbps to 10Kbps and has a range of up to 100 metres, The wheelchair's receiver unit receives signals from the transmitter unit through an Arduino Uno micro-controller, which causes the wheels to turn in the desired direction. Motor drivers that convert electricity as needed by the wheels makeupmakeup the reception unit. This technology offers an alternative to commercial wheelchairs since it is more effective, less expensive, and simpler to control.

Enquiring the Rocks: Statistical Investigation of Buddhist Stupa Carvings at Chilas Bridge, Gilgit-Baltistan, Pakistan

This paper investigates the Buddhist stupa carvings at Chilas Bridge site, District Diamer, Gilgit-Baltistan, Pakistan. We studied a total of 199 stupa carvings using statistical techniques to explore the depiction of Buddhist stupas and their constituent parts in this key region of northern Pakistan. Analysis of the stupa carvings suggests that the majority of the stupas were of small and medium size, primarily oriented in preferred directions and positions. Most of the stupa carvings at Chilas Bridge were depicted at a height/width ratio of 2:1, perhaps reflecting a real artistic and architectural convention following Hinayana Buddhism. The artists at Chilas Bridge appear to have used Gandharan stupa construction techniques as inspiration for developing their own style of stupa carving tradition, which lasted for around 700 years.

Theoretical assessment of metal ions doping of hybrid lead bromide perovskites

A new system of effective radii of metal ions in the bromide environment has been developed to analyze the dopability and preferable lattice positions for 40 different cations in the structure of wide-gap bromide perovskites with a huge potential for applications in optoelectronics, depending on the appropriate doping. The analysis carried out provides theoretical guidance on rational doping from a crystal chemistry point of view and highlights clear differences compared to well-known lead iodide perovskites.

Personalized Driving Behaviors and Fuel Economy Over Realistic Commute Traffic: Modeling, Correlation, and Prediction

Drivers have distinctively diverse behaviors when operating vehicles in natural traffic flow, such as preferred pedal position, car-following distance, preview time headway, etc. These highly personalized behavioral variations are known to impact vehicle fuel economy qualitatively. Nevertheless, the quantitative relationship between driving behaviors and vehicle fuel consumption remains obscure. Addressing this critical missing link will contribute to the improvement of transportation sustainability, as well as understanding drivers’ behavioral diversity. This study proposed an integrated microscopic driver behavior and fuel consumption model to assess and predict vehicle fuel economy with naturalistic highway and local commuting traffic data. Through extensive Monte Carlo simulations, significant correlation results are revealed between specific individual driving preferences and fuel economy over drivers’ frequent commuting routes. Correlation results indicate that the differences in fuel consumption incurred by various driving behaviors, even in the same traffic conditions, can be as much as 29% for a light-duty truck and 15% for a passenger car. A Gaussian Process Regression model is further trained, validated, and tested under different traffic and vehicle conditions to predict fuel consumption based on drivers’ personalized behaviors. Such a quantitative and personalized model can be used to identify and recommend fuel-friendly driving behaviors and routes, demonstrating a strong incentive for relevant stakeholders.

ANESTHETIC CHALLENGE FOR PERIOPERATIVE MANAGEMENT OF ACUTE INTESTINAL OCCLUSION ON A 26-WEEK AMENORRHEA PREGNANCY: ABOUT A RARE CASE IN THE TROPICS

The risk caused by anesthesia in pregnant women for surgery unrelated to pregnancy is difficult to specify exactly because of the rarity of the indications on the one hand and their very great diversity on the other. We report a clinical case of a 23-year-old pregnant woman Parity 2, Gestity 3, Abortion 0 and Death 0 admitted to the emergency room of the university clinics on 01/30/2022 for excruciating abdominal pain in the form of cramps, abdominal bloating and vomiting for 2 days, in whom the clinical and paraclinical examinations had concluded to an occlusive syndrome probably on flanges seen history of appendectomy. The particulars of the CPA noted moderate dehydration in the context of a full stomach.After a short preparation made of classic conditioning for an acute surgical abdomen (urinary and nasogastric catheter, 2 18-gauge venous lines) with particular preference for a left lateral position before induction, hydro-electrolyte rebalancing, antibiotic prophylaxis, gastric protection. The anesthetic induction was rapid sequence combining propofol (2.5mg/Kg), Suxamethonium, 1mg/Kg Fentanyl 1.5 ɤ/Kg and the Sellick maneuver. Maintenance of anesthesia was done by continuous propofol (3 mg/kg/hour) as well as 2 repeated boluses of titrated fentanyl (0.5 mg/kg). Maternal intraoperative monitoring was standard combined with sequential monitoring of fetal heart sounds using a pinardfetoscope). The intraoperative incident was marked by a fall in blood pressure managed by a small vascular filling with crystalloids associated with a vasoconstrictor (Ephedrine). The intraoperative report noted multiple intestinal adhesions with an area of ​​strangulation leaving the loops viable. Adhesiolysis and loop resuscitation were performed. The duration of the intervention was 3 hours and the pregnant woman was awakened and extubated on the table without incident. The maternal-fetal post-operative follow-up was simple after an observation in the post-operative care room. Anesthesia for bowel obstruction in pregnancy remains a formidable challenge for the anaesthesiologist-resuscitator in our environment with pharmacokinetic imperatives and those related to hemodynamic management. Appropriate equipment as well as continuous staff training would further improve this very specific care in our environment.

Novel wide spectrum light absorber heterostructures based on hBN/In(Ga)Te

Two-dimensional group III monochalcogenides have recently attracted quite attention for their wide spectrum of optical and electric properties, being promising candidates for optoelectronic and novel electrical applications. However, in their pristine form they are extremely sensitive and vulnerable to oxygen in air and need good mechanical protection and passivization. In this work we modeled and studied two newly designed van der Waals (vdW) heterostructures based on layer of hexagonal boron nitride (hBN) and GaTe or InTe monolayer. Using density functional theory, we investigate electronic and optical properties of those structures. Their moderate band gap and excellent absorption coefficient makes them ideal candidate for broad spectrum absorbers, covering all from part of IR to far UV spectrum, with particularly good absorption of UV light. The hBN layer, which can be beneficial for protection of sensitive GaTe and InTe, does not only preserve their optical properties but also enhances it by changing the band gap width and enhancing absorption in low-energy part of spectrum. Calculated binding energies prove that all three stacking types are possible to obtain experimentally, with H-top as the preferable stacking position. Moreover, it is shown that type of stacking does not affect any relevant properties and bandstructure does not reveal any significant change for each stacking type.

Who goes where in couples and pairs? Effects of sex and handedness on side preferences in human dyads

ABSTRACT There is increasing evidence that inter-individual interaction among conspecifics can cause population-level lateralization. Male–female and mother–infant dyads of several non-human species show lateralised position preferences, but such preferences have rarely been examined in humans. We observed 430 male–female human pairs and found a significant bias for males to walk on the right side of the pair. A survey measured side preferences in 93 left-handed and 92 right-handed women, and 96 left-handed and 99 right-handed men. When walking, and when sitting on a bench, males showed a significant side preference determined by their handedness, with left-handed men preferring to be on their partner’s left side and right-handed men preferring to be on their partner’s right side. Women did not show significant side preferences. When men are with their partner they show a preference for the side that facilitates the use of their dominant hand. We discuss possible reasons for the side preference, including males prefering to occupy the optimal “fight ready” side, and the influence of sex and handedness on the strength and direction of emotion lateralization.

포니테일 헤어스타일 위치에 따른 이미지 변화와 성별 선호도

Ponytail hairstyles have been popular among modern people thanks to their convenience in styling and time efficiency in hectic daily routine. This study attempted to investigate changes in the image of ponytail hair styles by their different position and gender preferences. For this, a questionnaire survey was performed against men and women in their 10-50s from around the country. The collected data were analyzed by frequency analysis and cross-tabulation analysis, using SPSS 21.0, and the results found the followings: In terms of an image by the ponytail type, low ponytail and middle/high ponytail revealed ‘elegant’ and ‘sporty’ respectively while ‘cute’ was found in side-ponytail, 2-ponytail and half-up ponytail. Among them, ‘low ponytail’ was most preferred. The respondents were also positive in having such hair style. Therefore, it is anticipated that there would be further use and development in ponytail hair styles through diverse changes.

Abstract 5640: Mono-allelic immunopeptidomics data from 109 MHC-I alleles reveals variability in binding preferences and improves neoantigen prediction algorithm

Abstract Neoantigen-based biomarkers are a promising approach for stratifying patient response to immunotherapy; however, current neoantigen prediction methods are not accurate enough to optimize these biomarkers. Sequence variability in the major histocompatibility complex (MHC) leads to the presentation of diverse neoantigens to T cells, and accurately representing this diversity in neoantigen prediction is critical for improvement. Previously, we published data from 25 mono-allelic cell lines and built an associated MHC class I, pan-allelic neoantigen prediction algorithm (SHERPATM). Here, we profile an additional 84 MHC alleles including 37 that have never previously been profiled with mono-allelic immunopeptidomics, explore the impact of MHC variability on peptide binding and improve neoantigen prediction of the SHERPA algorithm. To generate the data, we stably and transiently transfected 109 different MHC alleles (43 HLA-A, 56 -B and 10 -C alleles) into independent K562 HLA-null cell lines, immunoprecipitated intact MHC complexes using a W6/32 antibody and profiled the bound peptides using LC/MS-MS. We recovered a median of 1430 peptides per allele, with yields from the transient transfections being consistently higher than the stable transfections. Nearly all alleles have a strong anchor residue in the ninth position, but the positions of the secondary anchor residue vary by gene. HLA-B showed a stronger preference for the second position while HLA-A exhibited more variability across the first, second and third positions. In addition to the 109 mono-allelic cell lines, SHERPA increases generalizability by systematically integrating an additional 104 mono-allelic and 384 multi-allelic samples with publicly available immunopeptidomics data. The 186 alleles in the resulting training dataset have an average allelic coverage of 98% across 18 different US-based ethnicities. We evaluated our updated performance on 10% held-out mono-allelic test data from multiple cell line sources. The positive predictive value (PPV) of SHERPA was markedly higher than either NetMHCPan 4.1 or MHCFlurry-2.0 (1.45 and 1.58-fold increase, respectively), with further gains when only the 37 previously unprofiled alleles were considered (1.51 and 1.79-fold increase, respectively). Furthermore, the SHERPA model was able to detect 1.38-fold more immunogenic epitopes than either other method. Finally, we performed predictions with SHERPA across millions of synthetic binding pockets and peptides to elucidate the impact of MHC variability on peptide diversity. We found a strong correlation between binding pocket positions that highly influence peptide binding and those that are evolutionarily divergent. In conclusion, we profiled 109 mono-allelic cell lines, showed key trends in MHC-associated peptides and improved the SHERPA neoantigen prediction model. Citation Format: Rachel Marty Pyke, Steven Dea, Hima Anbunathan, Charles W. Abbott, Neeraja Ravi, Jason Harris, Gabor Bartha, Sejal Desai, Rena McClory, John West, Michael P. Snyder, Richard O. Chen, Sean Michael Boyle. Mono-allelic immunopeptidomics data from 109 MHC-I alleles reveals variability in binding preferences and improves neoantigen prediction algorithm [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2022; 2022 Apr 8-13. Philadelphia (PA): AACR; Cancer Res 2022;82(12_Suppl):Abstract nr 5640.

Quantum molecular unfolding

Molecular docking is an important step of the drug discovery process which aims at calculating the preferred position and shape of one molecule to a second when they are bound to each other. During such analysis, 3D representations of molecules are manipulated according to their degree of freedoms: rigid roto-translation and fragment rotations along the rotatable bonds. In our work, we focussed on one specific phase of the molecular docking procedure i.e. molecular unfolding (MU), which is used to remove the initial bias of a molecule by expanding it to an unfolded shape simpler to manipulate within the target cavity. The objective of the MU problem is to find the configuration that maximizes the molecular area, or equivalently, that maximizes the internal distances between atoms inside the molecule. We propose a quantum annealing approach to MU by formulating it as a high-order unconstrained binary optimization which was possible to solve on the latest D-wave annealing hardware (2000Q and advantage). Results and performances obtained with quantum annealers are compared with state of art classical solvers.