Validating CHARMM parameters and exploring charge distribution rules in structure-based drug design
about
SwissParam: A fast force field generation tool for small organic moleculesFreeSolv: a database of experimental and calculated hydration free energies, with input filesR.E.D. Server: a web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments.The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building.Fragment-based docking: development of the CHARMMing Web user interface as a platform for computer-aided drug design.Multi-Site λ-dynamics for simulated Structure-Activity Relationship studiesMolecular dynamics simulations of protein dynamics and their relevance to drug discovery.Optimization of a molecular mechanics force field for type-II polyoxometalates focussing on electrostatic interactions: a case study.
P2860
Q27136894-FC756746-FFC7-4055-A3D9-FA7CBB7DD27FQ28655211-AA76487B-5511-4EAE-9F96-CB1E75CC26CDQ31014950-1ED92A35-EFBA-4CE6-9868-C730C4E310AAQ33614754-0B870F0F-4EE0-43A7-A72F-3085F1AD97B4Q34222933-049B592C-8926-48BF-9B18-C638466EEAB1Q35572848-6DEE75EC-8F31-4E39-88E4-57F3F5929ACFQ37802710-62410F3F-D5E4-4916-9108-77DBD1DB4451Q51596723-934BDCE7-BB8C-47D9-9D52-C7A06EDF467C
P2860
Validating CHARMM parameters and exploring charge distribution rules in structure-based drug design
description
2009 nî lūn-bûn
@nan
2009 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年学术文章
@wuu
2009年学术文章
@zh-cn
2009年学术文章
@zh-hans
2009年学术文章
@zh-my
2009年学术文章
@zh-sg
2009年學術文章
@yue
name
Validating CHARMM parameters a ...... in structure-based drug design
@ast
Validating CHARMM parameters a ...... in structure-based drug design
@en
Validating CHARMM parameters a ...... n structure-based drug design.
@nl
type
label
Validating CHARMM parameters a ...... in structure-based drug design
@ast
Validating CHARMM parameters a ...... in structure-based drug design
@en
Validating CHARMM parameters a ...... n structure-based drug design.
@nl
prefLabel
Validating CHARMM parameters a ...... in structure-based drug design
@ast
Validating CHARMM parameters a ...... in structure-based drug design
@en
Validating CHARMM parameters a ...... n structure-based drug design.
@nl
P2860
P356
P1476
Validating CHARMM parameters a ...... in structure-based drug design
@en
P2093
Charles L Brooks
Jennifer L Knight
P2860
P304
P356
10.1021/CT900079T
P577
2009-01-01T00:00:00Z