(Q41841147)

13 October 2017

Exact Relation between Potential of Mean Force and Free-Energy Profile (English)

1 reference

13 October 2017

1

1 reference

13 October 2017

2

Darrin M York

1 reference

13 October 2017

6 September 2012

1 reference

Journal of Chemical Theory and Computation

13 October 2017

1 reference

13 October 2017

8

1 reference

13 October 2017

11

1 reference

13 October 2017

3998-4003

1 reference

Exploring Multidimensional Free Energy Landscapes Using Time-Dependent Biases on Collective Variables.

13 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3505112

Exploring the Multidimensional Free Energy Surface of Phosphoester Hydrolysis with Constrained QM/MM Dynamics

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3505112

Characterization of the reaction path and transition states for RNA transphosphorylation models from theory and experiment

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3505112

Insight into the phosphodiesterase mechanism from combined QM/MM free energy simulations

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3505112

Active participation of Mg ion in the reaction coordinate of RNA self-cleavage catalyzed by the hammerhead ribozyme

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3505112

Atomic-level characterization of the structural dynamics of proteins

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3505112

Random walk in orthogonal space to achieve efficient free-energy simulation of complex systems

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3505112

Classical statistical mechanics of constraints: a theorem and application to polymers

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3505112

Blue moon sampling, vectorial reaction coordinates, and unbiased constrained dynamics

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3505112

'Dynamic Distance' Reaction Coordinate for Competing Bonds: Applications in Classical and Ab Initio Simulations.

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3505112

The reaction mechanism of paraoxon hydrolysis by phosphotriesterase from combined QM/MM simulations

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3505112

Reaction pathway of the [4 + 2] Diels-Alder adduct formation on Si(100)-2 x 1.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3505112

The nature and transport mechanism of hydrated hydroxide ions in aqueous solution.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3505112

Heavy-atom skeleton quantization and proton tunneling in "intermediate-barrier" hydrogen bonds.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3505112

Fluid membranes can drive linear aggregation of adsorbed spherical nanoparticles

18 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23185141

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Free energies of stable and metastable pores in lipid membranes under tension

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23185141

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/CT300392F

1 reference

13 October 2017

1 reference

PMC publication ID

3505112

13 October 2017

PubMed publication ID

23185141

1 reference

PMC publication ID

3505112