Derivation of class II force fields. VIII. Derivation of a general quantum mechanical force field for organic compounds.
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Recent Developments and Applications of the CHARMM force fieldsApplication of consensus scoring and principal component analysis for virtual screening against β-secretase (BACE-1)Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data.Charge sensitivity approach to mutual polarization of reactants: molecular mechanics perspective.Toward Improved Force-Field Accuracy through Sensitivity Analysis of Host-Guest Binding Thermodynamics.Molecular dynamics: survey of methods for simulating the activity of proteins.Dynamics of conserved waters in human Hsp90: implications for drug designMolecular dynamics simulations of nucleic acid-protein complexes.Quantum mechanical force fields for condensed phase molecular simulations.Extension of the AMBER Force Field for Nitroxide Radicals and Combined QM/MM/PCM Approach to the Accurate Determination of EPR Parameters of DMPO-H in Solution.Homology modeling and virtual screening of inhibitors against TEM- and SHV-type-resistant mutants: A multilayer filtering approach.Structure-based screening of inhibitors against KPC-2: designing potential drug candidates against multidrug-resistant bacteria.Application of Q2MM to predictions in stereoselective synthesisMolecular Mechanics
P2860
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P2860
Derivation of class II force fields. VIII. Derivation of a general quantum mechanical force field for organic compounds.
description
2001 nî lūn-bûn
@nan
2001年の論文
@ja
2001年学术文章
@wuu
2001年学术文章
@zh
2001年学术文章
@zh-cn
2001年学术文章
@zh-hans
2001年学术文章
@zh-my
2001年学术文章
@zh-sg
2001年學術文章
@yue
2001年學術文章
@zh-hant
name
Derivation of class II force f ...... e field for organic compounds.
@en
Derivation of class II force f ...... e field for organic compounds.
@nl
type
label
Derivation of class II force f ...... e field for organic compounds.
@en
Derivation of class II force f ...... e field for organic compounds.
@nl
prefLabel
Derivation of class II force f ...... e field for organic compounds.
@en
Derivation of class II force f ...... e field for organic compounds.
@nl
P2093
P2860
P356
P1476
Derivation of class II force f ...... e field for organic compounds.
@en
P2093
Arnold T. Hagler
Carl S. Ewig
Chris Liang
Haiying Li
Jörg-Rüdiger Hill
Ming-Jing Hwang
Rajiv Berry
Thomas P. Stockfisch
P2860
P304
P356
10.1002/JCC.1131
P577
2001-11-01T00:00:00Z