(Q37464830)

20 August 2017

Implementation of a Serial Replica Exchange Method in a Physics-Based United-Residue (UNRES) Force Field (English)

1 reference

20 August 2017

1 reference

4

Harold A Scheraga

1 reference

20 August 2017

3

Adam Liwo

1 reference

20 August 2017

2

Cezary Czaplewski

1 reference

20 August 2017

Hujun Shen

1

1 reference

20 August 2017

1 August 2008

1 reference

Journal of Chemical Theory and Computation

20 August 2017

1 reference

20 August 2017

4

1 reference

20 August 2017

8

1 reference

20 August 2017

1386-1400

1 reference

Dynamic Formation and Breaking of Disulfide Bonds in Molecular Dynamics Simulations with the UNRES Force Field.

20 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2790181

23 August 2017

Serial replica exchange

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2790181

Modification and optimization of the united-residue (UNRES) potential energy function for canonical simulations. I. Temperature dependence of the effective energy function and tests of the optimization method with single training proteins.

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2790181

Molecular dynamics with the united-residue model of polypeptide chains. II. Langevin and Berendsen-bath dynamics and tests on model alpha-helical systems

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2790181

Molecular dynamics with the united-residue model of polypeptide chains. I. Lagrange equations of motion and tests of numerical stability in the microcanonical mode

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2790181

Replica exchange with solute tempering: a method for sampling biological systems in explicit water

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2790181

Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: assessment in two blind tests.

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2790181

Ab initio simulations of protein-folding pathways by molecular dynamics with the united-residue model of polypeptide chains

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2790181

Multiplexed-replica exchange molecular dynamics method for protein folding simulation

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2790181

A method for optimizing potential-energy functions by a hierarchical design of the potential-energy landscape: application to the UNRES force field

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2790181

Structural analysis of WW domains and design of a WW prototype

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2790181

Solution structure of the albumin-binding GA module: a versatile bacterial protein domain

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2790181

MOLMOL: a program for display and analysis of macromolecular structures

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2790181

Prediction of protein conformation on the basis of a search for compact structures: test on avian pancreatic polypeptide

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2790181

Calculation of protein backbone geometry from alpha-carbon coordinates based on peptide-group dipole alignment

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2790181

Navigating the folding routes

23 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2790181

Replica Monte Carlo simulation of spin glasses.

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2790181

Exploring the energy landscape of a beta hairpin in explicit solvent

2 September 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20011673

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Distributed Replica Sampling.

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20011673

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/CT800063D

1 reference

20 August 2017

1 reference

PMC publication ID

2790181

20 August 2017

PubMed publication ID

20011673

1 reference

PMC publication ID

2790181