Abstract
Applying a very simple approximation to the solvation potential theory of Chandler and co-workers enables the derivation of a surface accessible area solvation potential model that has been used to describe the solvation free energies of proteins and small organic molecules in aqueous solution and that has been used as a portion of an implicit solvent approach to simulations of protein dynamics, folding, and aggregation. The derivation indicates that the more general solvation potential theory will provide a fruitful basis for systematically devising significant improvements of the surface accessible area models.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
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.