Abstract

A new fast and accurate algorithm for numerical calculation of the van der Waals and solvent accessible surface areas based on the sorted table of cosines is described. This algorithm does not depend upon the particular distribution of the points on the sphere surface, and thus allows use of the most accurate points distribution available. Direct comparisons (on the same computer) with other known fast algorithms are performed. The comparisons show that this algorithm is the fastest when accurate calculation of the van der Waals surface is required and is at least as fast as the fastest competitor algorithm for the evaluation of the solvent accessible surface area. © 1996 by John Wiley & Sons, Inc.

Full Text
Paper version not known

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.