(Q37076658)

18 August 2017

Vulnerability in Popular Molecular Dynamics Packages Concerning Langevin and Andersen Dynamics (English)

1 reference

18 August 2017

David S Cerutti

1

1 reference

18 August 2017

Robert Duke

2

1 reference

18 August 2017

Peter L Freddolino

3

1 reference

18 August 2017

Hao Fan

4

1 reference

18 August 2017

Terry P Lybrand

5

1 reference

18 August 2017

1 October 2008

1 reference

Journal of Chemical Theory and Computation

18 August 2017

1 reference

18 August 2017

4

1 reference

18 August 2017

10

1 reference

18 August 2017

1669-1680

1 reference

Scalable molecular dynamics with NAMD

18 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2632580

The Amber biomolecular simulation programs

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2632580

Comparative study of generalized Born models: protein dynamics

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2632580

Dimer-Tetramer Transition between Solution and Crystalline States of Streptavidin and Avidin Mutants

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2632580

All-Atom Structure Prediction and Folding Simulations of a Stable Protein

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2632580

Designing a 20-residue protein

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2632580

29 September 2017

The Protein Data Bank

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2632580

Monte Carlo simulations: Hidden errors from ‘‘good’’ random number generators

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2632580

Canonical dynamics: Equilibrium phase-space distributions

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2632580

Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2632580

Molecular dynamics simulations of peptides from BPTI: a closer look at amide-aromatic interactions

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2632580

On the sensitivity of MD trajectories to changes in water-protein interaction parameters: the potato carboxypeptidase inhibitor in water as a test case for the GROMOS force field

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2632580

The quaternary structure of streptavidin in urea

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2632580

Two-stage folding of HP-35 from ab initio simulations

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2632580

Streptavidins with intersubunit crosslinks have enhanced stability

27 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2632580

Pseudorandom number generator for massively parallel molecular-dynamics simulations

27 June 2018

1 reference

12 December 2020

Synchronization induced by Langevin dynamics

1 reference

12 December 2020

Cooperative biotin binding by streptavidin. Electrophoretic behavior and subunit association of streptavidin in the presence of 6 M urea

1 reference

12 December 2020

Transition from chaotic to nonchaotic behavior in randomly driven systems

1 reference

12 December 2020

Advantages of a Lowe-Andersen thermostat in molecular dynamics simulations

1 reference

12 December 2020

Framework for testing random numbers in parallel calculations

1 reference

12 December 2020

Identifiers

DOI

10.1021/CT8002173

1 reference

18 August 2017

1 reference

18 August 2017

PubMed publication ID

19180249

1 reference