(Q30533272)

15 August 2017

Solvent fluctuations in hydrophobic cavity-ligand binding kinetics (English)

1 reference

15 August 2017

1 reference

1 reference

4

J Andrew McCammon

1 reference

15 August 2017

5

Joachim Dzubiella

1 reference

15 August 2017

Piotr Setny

1

1 reference

15 August 2017

Riccardo Baron

series ordinal

2

1 reference

15 August 2017

Peter Michael Kekenes-Huskey

series ordinal

3

1 reference

15 August 2017

language of work or name

English

0 references

publication date

7 January 2013

1 reference

15 August 2017

6

1 reference

Proceedings of the National Academy of Sciences of the United States of America

inferred from page(s)

published in

1 reference

15 August 2017

110

1 reference

15 August 2017

4

1 reference

15 August 2017

1197-1202

1 reference

Molecular recognition and ligand association

15 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

Water structure, dynamics, and spectral signatures: changes upon model cavity-ligand recognition

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

Hydrophobicity of proteins and interfaces: insights from density fluctuations

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

Evaporation rate of water in hydrophobic confinement

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

Sitting at the edge: how biomolecules use hydrophobicity to tune their interactions and function

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

Theory and simulation of diffusion-influenced, stochastically gated ligand binding to buried sites

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

Ligand binding to protein-binding pockets with wet and dry regions

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

Molecular binding: Under water's influence

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

How Can Hydrophobic Association Be Enthalpy Driven?

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

Water in cavity-ligand recognition

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

Dewetting transitions in protein cavities

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

Dewetting and hydrophobic interaction in physical and biological systems

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

A dry ligand-binding cavity in a solvated protein.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

Water in nonpolar confinement: from nanotubes to proteins and beyond

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand binding

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

Water mediation in protein folding and molecular recognition

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

Interfaces and the driving force of hydrophobic assembly

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

Water clusters in nonpolar cavities

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

Kinetics of desolvation-mediated protein-protein binding

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

Demonstration of positionally disordered water within a protein hydrophobic cavity by NMR.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3557044

Computational probe of cavitation events in protein systems

20 June 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1221231110

The kinetics of protein-protein recognition.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1221231110

Reaction-rate theory: fifty years after Kramers

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1221231110

How the diffusivity profile reduces the arbitrariness of protein folding free energies.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1221231110

The fluctuation-dissipation theorem

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1221231110

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1221231110

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1221231110

Vibrational excitation of CF4by electron impact: a computational analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1221231110

Interplay between Hydrodynamics and the Free Energy Surface in the Assembly of Nanoscale Hydrophobes

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1221231110

Are Hydrodynamic Interactions Important in the Kinetics of Hydrophobic Collapse?

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1221231110

Protein-ligand binding affinity predictions by implicit solvent simulations: a tool for lead optimization?

21 January 2018

1 reference

12 December 2020

Dynamics of capillary drying in water

1 reference

12 December 2020

Dewetting-controlled binding of ligands to hydrophobic pockets

1 reference

12 December 2020

Liquid-vapor oscillations of water nanoconfined between hydrophobic disks: thermodynamics and kinetics

1 reference

12 December 2020

Water properties inside nanoscopic hydrophobic pocket studied by computer simulations

1 reference

12 December 2020

Identifiers

DOI

10.1073/PNAS.1221231110

1 reference

15 August 2017

0 references

1 reference

15 August 2017

PubMed publication ID

23297241

1 reference