(Q42080174)

16 October 2017

Biomolecular free energy profiles by a shooting/umbrella sampling protocol, "BOLAS" (English)

1 reference

16 October 2017

Tamar Schlick

2

1 reference

ORCID Public Data File 2021

author name string

Ravi Radhakrishnan

series ordinal

1

1 reference

PMC publication ID

2811053

16 October 2017

language of work or name

English

0 references

publication date

1 August 2004

1 reference

Journal of Chemical Physics

16 October 2017

1 reference

16 October 2017

121

1 reference

16 October 2017

5

1 reference

16 October 2017

2436-2444

1 reference

Orchestration of cooperative events in DNA synthesis and repair mechanism unraveled by transition path sampling of DNA polymerase beta's closing

16 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2811053

Atomistic understanding of kinetic pathways for single base-pair binding and unbinding in DNA.

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2811053

Transition-path sampling of β-hairpin folding

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2811053

Engineering teams up with computer-simulation and visualization tools to probe biomolecular mechanisms

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2811053

Free energy simulations come of age: protein-ligand recognition

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2811053

Energetics of glycerol conduction through aquaglyceroporin GlpF.

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2811053

Drying-induced hydrophobic polymer collapse

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2811053

Transition path sampling: throwing ropes over rough mountain passes, in the dark.

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2811053

Intrinsic conformational energetics associated with the glycosyl torsion in DNA: a quantum mechanical study

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2811053

Efficient, Multiple-Range Random Walk Algorithm to Calculate the Density of States

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2811053

Reaction coordinates of biomolecular isomerization

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2811053

Novel methods of sampling phase space in the simulation of biological systems

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2811053

Energetics of ion conduction through the K+ channel.

30 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2811053

Nonequilibrium Equality for Free Energy Differences

17 August 2018

1 reference

Calcium triggers an intramolecular association of the C2 domains in synaptotagmin

21 January 2018

1 reference

Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane and n‐Alkane Molecules

21 January 2018

1 reference

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

1 reference

Nonequilibrium Measurements of Free Energy Differences for Microscopically Reversible Markovian Systems

21 January 2018

1 reference

Computer simulation study of free energy barriers in crystal nucleation

21 January 2018

1 reference

Free energy changes on freezing and melting ductile metals

21 January 2018

1 reference

Optimizing searches via rare events

21 January 2018

1 reference

12 December 2020

First-principles calculation of the folding free energy of a three-helix bundle protein

1 reference

12 December 2020

Nucleation of Crystalline Phases of Water in Homogeneous and Inhomogeneous Environments

1 reference

12 December 2020

Spatial configuration of polynucleotide chains. II. Conformational energies and the average dimensions of polyribonucleotides

1 reference

12 December 2020

Fast calculation of the density of states of a fluid by Monte Carlo simulations

1 reference

12 December 2020

Conformational analysis of the sugar ring in nucleosides and nucleotides. New description using the concept of pseudorotation

1 reference

12 December 2020

Identifiers

DOI

10.1063/1.1766014

1 reference

16 October 2017

1 reference

PMC publication ID

2811053

16 October 2017

PubMed publication ID

15260799

1 reference

PMC publication ID

2811053