| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5373885 | Chemical Physics | 2013 | 10 Pages |
Abstract
⺠A new approach to building coarse-grained models of proteins is proposed. ⺠Elastic network model (ENM) modes are used to define coarse-grained variables. ⺠Anharmonic effects are described by 3rd and 4th order terms in Taylor series. ⺠Renormalization of the effective (coarse-grained) potentials is discussed. ⺠A case study of hen egg white lysozyme in aqueous solution is reported.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Anton V. Sinitskiy, Gregory A. Voth,