(Q34180295)

31 July 2017

title

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

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31 July 2017

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Vijay S Pande

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31 July 2017

Young Min Rhee

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31 July 2017

language of work or name

English

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publication date

1 February 2003

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31 July 2017

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31 July 2017

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31 July 2017

issue

2 Pt 1

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31 July 2017

page(s)

775-786

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COMPUTING: Screen Savers of the World Unite!

31 July 2017

cites work

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

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The free energy landscape for beta hairpin folding in explicit water

5 July 2018

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Generalized-ensemble algorithms for molecular simulations of biopolymers

5 July 2018

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

5 July 2018

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Design and NMR analyses of compact, independently folded BBA motifs

5 July 2018

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

5 July 2018

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

5 July 2018

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

28 October 2018

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

7 January 2021

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Large-amplitude nonlinear motions in proteins

7 January 2021

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Exploring the energy landscape of a beta hairpin in explicit solvent

7 January 2021

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

7 January 2021

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

7 January 2021

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

7 January 2021

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

7 January 2021

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Mathematical analysis of coupled parallel simulations

7 January 2021

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Multidimensional replica-exchange method for free-energy calculations

7 January 2021

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Replica-exchange molecular dynamics method for protein folding

7 January 2021

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

7 January 2021

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7 January 2021

Identifiers

DOI

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31 July 2017

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31 July 2017

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