Explicit polarization: a quantum mechanical framework for developing next generation force fields.
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Multipolar Ewald methods, 2: applications using a quantum mechanical force fieldMultipolar Ewald methods, 1: theory, accuracy, and performanceSemiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications.Perspective: Quantum mechanical methods in biochemistry and biophysics.Chirality-induced spin polarization places symmetry constraints on biomolecular interactionsQuantum mechanical force fields for condensed phase molecular simulations.Evaluating Force Field Performance in Thermodynamic Calculations of Cyclodextrin Host-Guest Binding: Water Models, Partial Charges, and Host Force Field Parameters.Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions.Ionic liquid induced dehydration and domain closure in lysozyme: FCS and MD simulation.Intermolecular interactions in the condensed phase: Evaluation of semi-empirical quantum mechanical methods.A general intermolecular force field based on tight-binding quantum chemical calculations.Enzymatic Kinetic Isotope Effects from Path-Integral Free Energy Perturbation Theory.The multiscale coarse-graining method. XI. Accurate interactions based on the centers of charge of coarse-grained sites.A quantum mechanical computational method for modeling electrostatic and solvation effects of protein.A Force Balanced Fragmentation Method for ab Initio Molecular Dynamic Simulation of Protein.
P2860
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P2860
Explicit polarization: a quantum mechanical framework for developing next generation force fields.
description
2014 nî lūn-bûn
@nan
2014 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
2014 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
2014年の論文
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2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
name
Explicit polarization: a quant ...... next generation force fields.
@ast
Explicit polarization: a quant ...... next generation force fields.
@en
Explicit polarization: a quant ...... next generation force fields.
@nl
type
label
Explicit polarization: a quant ...... next generation force fields.
@ast
Explicit polarization: a quant ...... next generation force fields.
@en
Explicit polarization: a quant ...... next generation force fields.
@nl
prefLabel
Explicit polarization: a quant ...... next generation force fields.
@ast
Explicit polarization: a quant ...... next generation force fields.
@en
Explicit polarization: a quant ...... next generation force fields.
@nl
P2093
P2860
P50
P356
P1476
Explicit polarization: a quant ...... next generation force fields.
@en
P2093
Michael J M Mazack
Pavel Rehak
Yingjie Wang
P2860
P304
P356
10.1021/AR5002186
P407
P577
2014-08-06T00:00:00Z