(Q29030427)

26 March 2017

author name string

Benjamin J. Killian

series ordinal

1

1 reference

26 March 2017

Joslyn Yundenfreund Kravitz

series ordinal

2

1 reference

26 March 2017

Michael K. Gilson

series ordinal

3

1 reference

26 March 2017

language of work or name

English

0 references

publication date

14 July 2007

1 reference

Journal of Chemical Physics

26 March 2017

published in

1 reference

26 March 2017

volume

127

1 reference

26 March 2017

page(s)

024107

1 reference

26 March 2017

issue

2

1 reference

All-atom empirical potential for molecular modeling and dynamics studies of proteins

26 March 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2707031

Nearest-neighbor nonparametric method for estimating the configurational entropy of complex molecules

26 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2707031

Estimating mutual information

26 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2707031

Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations

26 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2707031

A Mathematical Theory of Communication

26 March 2017

1 reference

ICM?A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation

23 May 2017

1 reference

Statistical thermodynamics of hindered rotation from computer simulations

23 May 2017

1 reference

Ligand configurational entropy and protein binding

23 May 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2707031

Calculation of the entropy and free energy of peptides by molecular dynamics simulations using the hypothetical scanning molecular dynamics method

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2707031

Probing the binding entropy of ligand-protein interactions by NMR.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2707031

Thermodynamic interpretation of protein dynamics from NMR relaxation measurements

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2707031

Simulation method for calculating the entropy and free energy of peptides and proteins

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2707031

Exploring Flory's isolated-pair hypothesis: statistical mechanics of helix-coil transitions in polyalanine and the C-peptide from RNase A.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2707031

Increased backbone mobility in beta-barrel enhances entropy gain driving binding of N-TIMP-1 to MMP-3.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2707031

Dynamics and entropy of a calmodulin-peptide complex studied by NMR and molecular dynamics

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2707031

Redistribution and loss of side chain entropy upon formation of a calmodulin-peptide complex

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2707031

The statistical-thermodynamic basis for computation of binding affinities: a critical review

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2707031

Contributions to conformational entropy arising from bond vector fluctuations measured from NMR-derived order parameters: application to protein folding

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2707031

Free energy, entropy, and induced fit in host-guest recognition: calculations with the second-generation mining minima algorithm

3 June 2018

1 reference

Evaluating the Accuracy of the Quasiharmonic Approximation

21 January 2018

1 reference

THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method

21 January 2018

1 reference

Evaluating the conformational entropy of macromolecules using an energy decomposition approach

21 January 2018

1 reference

Maximum entropy formulation of the Kirkwood superposition approximation.

21 January 2018

1 reference

Gibbs vs Boltzmann Entropies

21 January 2018

1 reference

Identification of symmetries in molecules and complexes.

21 January 2018

1 reference

Molecular recognition of biologically interesting substrates: synthesis of an artificial receptor for barbiturates employing six hydrogen bonds

21 January 2018

1 reference

Nearest neighbor estimates of entropy

21 January 2018

1 reference

Estimating entropies from molecular dynamics simulations

21 January 2018

1 reference

Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program

21 January 2018

1 reference

Optimized Monte Carlo data analysis

21 January 2018

1 reference

12 December 2020

Physical nature of higher-order mutual information: intrinsic correlations and frustration

1 reference

12 December 2020

NMR relaxation studies of the role of conformational entropy in protein stability and ligand binding

1 reference

12 December 2020

2D Entropy of Discrete Molecular Ensembles

1 reference

12 December 2020

Increasing the Efficiency of Free Energy Calculations Using Parallel Tempering and Histogram Reweighting

1 reference

12 December 2020

Direct entropy calculation from computer simulation of liquids

1 reference

12 December 2020

Identifiers

DOI

10.1063/1.2746329

2 references

26 March 2017

3120796

3120796

1 reference

1 reference

1 reference