(Q37234757)

19 August 2017

Thermostat artifacts in replica exchange molecular dynamics simulations (English)

1 reference

19 August 2017

Edina Rosta

1

0 references

Nicolae-Viorel Buchete

object named as

Nicolae-Viorel Buchete

series ordinal

2

0 references

Gerhard Hummer

object named as

Gerhard Hummer

series ordinal

3

0 references

publication date

1 January 2009

1 reference

Journal of Chemical Theory and Computation

19 August 2017

1 reference

19 August 2017

5

1 reference

19 August 2017

5

1 reference

19 August 2017

1393-1399

1 reference

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

19 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699284

The Amber biomolecular simulation programs

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699284

Simulations of the pressure and temperature unfolding of an alpha-helical peptide.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699284

Exploring the helix-coil transition via all-atom equilibrium ensemble simulations

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699284

Simulation of the folding equilibrium of α-helical peptides: A comparison of the generalized Born approximation with explicit solvent

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699284

Alpha-helical stabilization by side chain shielding of backbone hydrogen bonds

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699284

Canonical dynamics: Equilibrium phase-space distributions

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699284

Preserving the Boltzmann ensemble in replica-exchange molecular dynamics

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699284

Peptide folding kinetics from replica exchange molecular dynamics.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699284

Coarse master equations for peptide folding dynamics.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2699284

Exchange frequency in replica exchange molecular dynamics

3 September 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20046980

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/CT800557H

1 reference

19 August 2017

1 reference

PMC publication ID

2699284

19 August 2017

PubMed publication ID

20046980

1 reference

PMC publication ID

2699284