(Q33764509)

29 July 2017

Conformational populations of ligand-sized molecules by replica exchange molecular dynamics and temperature reweighting (English)

1 reference

29 July 2017

Hisashi Okumura

1

1 reference

29 July 2017

Emilio Gallicchio

series ordinal

2

1 reference

29 July 2017

Ronald M Levy

series ordinal

3

1 reference

29 July 2017

language of work or name

1 reference

1 May 2010

1 reference

Journal of Computational Chemistry

29 July 2017

1 reference

29 July 2017

31

1 reference

29 July 2017

7

1 reference

29 July 2017

1357-1367

1 reference

A Second Look at Canonical Sampling of Biomolecules using Replica Exchange Simulation

29 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

Simple continuous and discrete models for simulating replica exchange simulations of protein folding.

22 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: strategic flexibility explains potency against resistance mutations

22 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

Simulating replica exchange simulations of protein folding with a kinetic network model

22 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

Asynchronous replica exchange for molecular simulations

22 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

Exploring the energy landscape of protein folding using replica-exchange and conventional molecular dynamics simulations

22 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

Integrated Modeling Program, Applied Chemical Theory (IMPACT)

22 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

The Amber biomolecular simulation programs

22 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

MMTSB Tool Set: enhanced sampling and multiscale modeling methods for applications in structural biology.

22 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

Multiple diverse ligands binding at a single protein site: a matter of pre-existing populations

22 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

Generalized-ensemble algorithms for molecular simulations of biopolymers

22 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

Multicanonical ensemble: A new approach to simulate first-order phase transitions

22 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

Canonical dynamics: Equilibrium phase-space distributions

22 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

Partial multicanonical algorithm for molecular dynamics and Monte Carlo simulations

22 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

Temperature and pressure dependence of alanine dipeptide studied by multibaric-multithermal molecular dynamics simulations

30 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

Enhanced sampling via strong coupling to a heat bath: relationship between Tsallis and multicanonical algorithms.

30 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

Temperature weighted histogram analysis method, replica exchange, and transition paths.

30 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

Multibaric-multithermal ensemble molecular dynamics simulations.

30 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

Monte Carlo simulations in generalized isobaric-isothermal ensembles.

30 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

AGBNP: an analytic implicit solvent model suitable for molecular dynamics simulations and high-resolution modeling.

30 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2848294

30 October 2018

Identifiers

DOI

10.1002/JCC.21419

1 reference

29 July 2017

journals/jcc/OkumuraGL10

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

29 July 2017

1 reference