(Q46444659)

22 December 2017

title

Accelerated entropy estimates with accelerated dynamics (English)

1 reference

22 December 2017

3

J Andrew McCammon

1 reference

22 December 2017

David D L Minh

1

1 reference

22 December 2017

Donald Hamelberg

series ordinal

2

1 reference

22 December 2017

language of work or name

English

0 references

publication date

1 October 2007

1 reference

22 December 2017

Journal of Chemical Physics

published in

1 reference

22 December 2017

volume

127

1 reference

22 December 2017

issue

15

1 reference

22 December 2017

page(s)

154105

1 reference

22 December 2017

Accelerated molecular dynamics: a promising and efficient simulation method for biomolecules

cites work

1 reference

Phosphorylation effects on cis/trans isomerization and the backbone conformation of serine-proline motifs: accelerated molecular dynamics analysis

21 January 2018

1 reference

Fast peptidyl cis-trans isomerization within the flexible Gly-rich flaps of HIV-1 protease

21 January 2018

1 reference

On the application of accelerated molecular dynamics to liquid water simulations

21 January 2018

1 reference

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

21 January 2018

1 reference

Evaluating the Accuracy of the Quasiharmonic Approximation

21 January 2018

1 reference

The entropic cost of protein-protein association: a case study on acetylcholinesterase binding to fasciculin-2

21 January 2018

1 reference

Statistical thermodynamics of hindered rotation from computer simulations

21 January 2018

1 reference

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

21 January 2018

1 reference

Extraction of configurational entropy from molecular simulations via an expansion approximation

21 January 2018

1 reference

Multidimensional potentials of mean force from biased experiments along a single coordinate

21 January 2018

1 reference

Estimation of the absolute internal-rotation entropy of molecules with two torsional degrees of freedom from stochastic simulations

21 January 2018

1 reference

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

21 January 2018

1 reference

Sampling of slow diffusive conformational transitions with accelerated molecular dynamics

21 January 2018

1 reference

Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2794754

1 reference

22 December 2017

PubMed ID

17949130

1 reference

22 December 2017