(Q43297790)

18 November 2017

Adaptive anisotropic kernels for nonparametric estimation of absolute configurational entropies in high-dimensional configuration spaces (English)

1 reference

18 November 2017

Ulf Hensen

1

1 reference

18 November 2017

Helmut Grubmüller

series ordinal

2

1 reference

18 November 2017

Oliver F Lange

series ordinal

3

1 reference

18 November 2017

language of work or name

English

0 references

publication date

20 July 2009

1 reference

18 November 2017

1 reference

18 November 2017

80

1 reference

18 November 2017

1 Pt 1

1 reference

18 November 2017

011913

1 reference

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

18 November 2017

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.80.011913

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.80.011913

Recent developments in methodologies for calculating the entropy and free energy of biological systems by computer simulation

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.80.011913

Evaluating the Accuracy of the Quasiharmonic Approximation

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.80.011913

Comparison of atomic-level and coarse-grained models for liquid hydrocarbons from molecular dynamics configurational entropy estimates.

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.80.011913

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.80.011913

PRODRG: a tool for high-throughput crystallography of protein-ligand complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.80.011913

GROMACS: fast, flexible, and free

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.80.011913

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.80.011913

An efficient, path-independent method for free-energy calculations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.80.011913

Free energy via molecular simulation: applications to chemical and biomolecular systems

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.80.011913

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.80.011913

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.80.011913

Estimating entropies from molecular dynamics simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1103%2FPHYSREVE.80.011913

10.1103/PHYSREVE.80.011913

21 January 2018

Identifiers

DOI

1 reference

18 November 2017

0 references

1 reference