(Q34180295)

31 July 2017

Multiplexed-replica exchange molecular dynamics method for protein folding simulation (English)

1 reference

31 July 2017

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2

Vijay S Pande

1 reference

31 July 2017

Young Min Rhee

1

1 reference

PubMed ID

12547762

31 July 2017

language of work or name

English

0 references

publication date

1 February 2003

1 reference

31 July 2017

1 reference

31 July 2017

84

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31 July 2017

775-786

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31 July 2017

2 Pt 1

1 reference

COMPUTING: Screen Savers of the World Unite!

31 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302658

Native-like mean structure in the unfolded ensemble of small proteins

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302658

The free energy landscape for beta hairpin folding in explicit water

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302658

Generalized-ensemble algorithms for molecular simulations of biopolymers

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302658

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302658

Design and NMR analyses of compact, independently folded BBA motifs

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302658

Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302658

Structure of Met-enkephalin in explicit aqueous solution using replica exchange molecular dynamics

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302658

Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations

28 October 2018

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974897-8

Probability Distributions for Complex Systems: Adaptive Umbrella Sampling of the Potential Energy

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974897-8

Large-amplitude nonlinear motions in proteins

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974897-8

Exploring the energy landscape of a beta hairpin in explicit solvent

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974897-8

Prediction of peptide conformation by multicanonical algorithm: New approach to the multiple-minima problem

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974897-8

Molecular dynamics, Langevin and hydrid Monte Carlo simulations in a multicanonical ensemble

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974897-8

The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974897-8

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974897-8

Mathematical analysis of coupled parallel simulations

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974897-8

Multidimensional replica-exchange method for free-energy calculations

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974897-8

Replica-exchange molecular dynamics method for protein folding

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974897-8

Beta-hairpin folding simulations in atomistic detail using an implicit solvent model

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974897-8

10.1016/S0006-3495(03)74897-8

7 January 2021

Identifiers

DOI

1 reference

31 July 2017

1 reference

31 July 2017

1 reference

PubMed ID

12547762