Potential energy functions: from consistent force fields to spectroscopically determined polarizable force fields.
about
Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data.Fusing heterogeneous data for the calibration of molecular dynamics force fields using hierarchical Bayesian models.Gaussian induced dipole polarization model.Molecular dynamics: survey of methods for simulating the activity of proteins.Evaluation of Representations and Response Models for Polarizable Force Fields.The MOD-QM/MM Method: Applications to Studies of Photosystem II and DNA G-Quadruplexes.Polarization effects in molecular mechanical force fieldsContinuum polarizable force field within the Poisson-Boltzmann framework.Protein dynamics from NMR: the slowly relaxing local structure analysis compared with model-free analysisAn automated approach for the parameterization of accurate intermolecular force-fields: pyridine as a case study.Roles of the scalar and vector components of the solvation effects on the vibrational properties of hydrogen- or halogen-bond accepting stretching modes.
P2860
Q30587280-E2B95705-E745-4B1B-A9BB-B41C7BFEBFA1Q31152505-70686784-7CE6-4451-B0E4-E9A9A02DDF89Q36330484-130A64E0-B242-4167-9062-2B1E6A8AE545Q36472758-D5CA55ED-F7FB-4C0D-81A3-D986FC85B9FAQ37212888-E61E56CF-756B-497E-B84C-9621BE35E15BQ37638321-4998FD58-B9D7-4314-8BC3-6B24D2167188Q39600496-D8E0B0BD-7299-45DA-8C33-6AA6B25F3355Q41259494-43255C02-9ACA-42E7-929A-DB07B3E1C05FQ42072024-2F8A7CC5-1C19-4D90-812C-47C9E23B5439Q48028846-7FF1C0EF-9700-4480-ACDA-2F164F7DFFA3Q53914412-F6609AF4-6394-4FFD-8FAA-BB935809030B
P2860
Potential energy functions: from consistent force fields to spectroscopically determined polarizable force fields.
description
2003 nî lūn-bûn
@nan
2003 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2003 թվականի մարտին հրատարակված գիտական հոդված
@hy
2003年の論文
@ja
2003年論文
@yue
2003年論文
@zh-hant
2003年論文
@zh-hk
2003年論文
@zh-mo
2003年論文
@zh-tw
2003年论文
@wuu
name
Potential energy functions: fr ...... ined polarizable force fields.
@ast
Potential energy functions: fr ...... ined polarizable force fields.
@en
type
label
Potential energy functions: fr ...... ined polarizable force fields.
@ast
Potential energy functions: fr ...... ined polarizable force fields.
@en
prefLabel
Potential energy functions: fr ...... ined polarizable force fields.
@ast
Potential energy functions: fr ...... ined polarizable force fields.
@en
P2093
P356
P1433
P1476
Potential energy functions: fr ...... ined polarizable force fields.
@en
P2093
Berit Mannfors
Noemi G Mirkin
Samuel Krimm
P304
P356
10.1002/BIP.10254
P577
2003-03-01T00:00:00Z