Estimation of the absolute internal-rotation entropy of molecules with two torsional degrees of freedom from stochastic simulations
about
Nearest neighbor estimates of entropy for multivariate circular distributionsDistance-Based Configurational Entropy of Proteins from Molecular Dynamics SimulationsToward accurate microscopic calculation of solvation entropies: extending the restraint release approach to studies of solvation effectsAbsolute Single-Molecule Entropies from Quasi-Harmonic Analysis of Microsecond Molecular Dynamics: Correction Terms and Convergence PropertiesThermodynamic calculations for molecules with asymmetric internal rotors. II. Application to the 1,2-dihaloethanes.Methods for calculating the entropy and free energy and their application to problems involving protein flexibility and ligand binding.Laminated nanotapes fabricated from conformation specific self-assembly of N-annulated perylene derivatives.Accelerated entropy estimates with accelerated dynamics.Free Energy, Enthalpy and Entropy from Implicit Solvent End-Point Simulations.Accurate treatment of two-dimensional non-separable hindered internal rotors.
P2860
Q23918836-F42F3621-FB47-4920-957B-298AE397C2E3Q28383547-80A06A0E-195F-4387-87D9-C94556A52678Q28390933-5AB378C5-6436-4337-BE8F-6F4F19B882C9Q28392482-ED035690-4DA3-4383-AB09-C8BE861AD0A6Q35926720-59DC9077-0483-429B-9676-6D788CE47585Q37276103-1A0529BC-EBD6-4191-97E2-AF8AA50DF3A1Q41610358-AAFC0778-18EA-41CB-B3D5-279377821A5AQ46444659-1C32F552-355F-48E1-A124-CE1F15846EA0Q50207107-64FD09D1-1333-4ACB-BD83-A47E7C8AAB59Q51232571-92CD6F36-AE9B-4B25-94D6-35933B697E90
P2860
Estimation of the absolute internal-rotation entropy of molecules with two torsional degrees of freedom from stochastic simulations
description
2005 nî lūn-bûn
@nan
2005 թուականին հրատարակուած գիտական յօդուած
@hyw
2005 թվականին հրատարակված գիտական հոդված
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2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
name
Estimation of the absolute int ...... om from stochastic simulations
@ast
Estimation of the absolute int ...... om from stochastic simulations
@en
Estimation of the absolute int ...... om from stochastic simulations
@en-gb
Estimation of the absolute int ...... om from stochastic simulations
@nl
type
label
Estimation of the absolute int ...... om from stochastic simulations
@ast
Estimation of the absolute int ...... om from stochastic simulations
@en
Estimation of the absolute int ...... om from stochastic simulations
@en-gb
Estimation of the absolute int ...... om from stochastic simulations
@nl
prefLabel
Estimation of the absolute int ...... om from stochastic simulations
@ast
Estimation of the absolute int ...... om from stochastic simulations
@en
Estimation of the absolute int ...... om from stochastic simulations
@en-gb
Estimation of the absolute int ...... om from stochastic simulations
@nl
P2093
P356
P1476
Estimation of the absolute int ...... om from stochastic simulations
@en
P2093
Adam Fedorowicz
Eva Darian
Harshinder Singh
P2880
P304
P356
10.1002/JCC.20198
P577
2005-01-01T00:00:00Z