๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Free-Energy Landscape of the Villin Headpiece in an All-Atom Force Field

โœ Scribed by Thomas Herges; Wolfgang Wenzel


Book ID
113918408
Publisher
Elsevier Science
Year
2005
Tongue
English
Weight
333 KB
Volume
13
Category
Article
ISSN
0969-2126

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Calibration of force-field dependency in
โœ Satoshi Ono; Masataka Kuroda; Junichi Higo; Nobuyuki Nakajima; Haruki Nakamura ๐Ÿ“‚ Article ๐Ÿ“… 2002 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 267 KB

## Abstract The free energy landscapes of peptide conformations were calibrated by __ab initio__ quantum chemical calculations, after the enhanced conformational diversity search using the multicanonical molecular dynamics simulations. Three different potentials of mean force for an isolated dipept

Calculation of the waterโ€“cyclohexane tra
โœ Justin L. MacCallum; D. Peter Tieleman ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 98 KB ๐Ÿ‘ 1 views

## Abstract We calculated the free energy of solvation of the neutral analogs of 18 amino acid sideโ€chains (not including glycine and proline) using the OPLS allโ€atom force field in TIP4P water, SPC water, and cyclohexane by molecular dynamics simulation and thermodynamic integration. The average u