(Q35099043)

6 August 2017

title

Fast Calculations of Electrostatic Solvation Free Energy from Reconstructed Solvent Density using proximal Radial Distribution Functions (English)

1 reference

Erratum: Fast Calculations of Electrostatic Solvation Free Energy from Reconstructed Solvent Density using proximal Radial Distribution Functions

6 August 2017

corrigendum / erratum

0 references

author name string

Bin Lin

1

1 reference

6 August 2017

Ka-Yiu Wong

2

1 reference

6 August 2017

Char Hu

3

1 reference

6 August 2017

Hironori Kokubo

4

1 reference

6 August 2017

B Montgomery Pettitt

5

1 reference

6 August 2017

publication date

1 June 2011

1 reference

Journal of Physical Chemistry Letters

6 August 2017

published in

1 reference

6 August 2017

volume

2

1 reference

6 August 2017

issue

13

1 reference

6 August 2017

page(s)

1626-1632

1 reference

Computation of Absolute Hydration and Binding Free Energy with Free Energy Perturbation Distributed Replica-Exchange Molecular Dynamics (FEP/REMD).

6 August 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Note: On the universality of proximal radial distribution functions of proteins

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Peptide conformational preferences in osmolyte solutions: transfer free energies of decaalanine

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Modeling the hydration layer around proteins: HyPred

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Backbone additivity in the transfer model of protein solvation

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Tetracycline-tet repressor binding specificity: insights from experiments and simulations

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Trimethylamine N-oxide influence on the backbone of proteins: an oligoglycine model

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Role of water in mediating the assembly of Alzheimer amyloid-beta Abeta16-22 protofilaments

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

The dewetting transition and the hydrophobic effect.

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Water mediation in protein folding and molecular recognition

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Improving implicit solvent simulations: a Poisson-centric view

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Virtual screening of chemical libraries

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Recent advances in the development and application of implicit solvent models in biomolecule simulations

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Electrostatics of nanosystems: application to microtubules and the ribosome

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Generalized-ensemble algorithms for molecular simulations of biopolymers

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Solvent effects on the energy landscapes and folding kinetics of polyalanine

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Polyalanine-based peptides as models for self-associated beta-pleated-sheet complexes

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

VMD: visual molecular dynamics

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Helix propensities of the amino acids measured in alanine-based peptides without helix-stabilizing side-chain interactions.

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

A global model of the protein-solvent interface

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Classical electrostatics in biology and chemistry

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Conformational studies of poly-L-alanine in water.

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Unfolding of an ?-helix in water

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Molecular dynamics simulations of helix denaturation

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Solvation free energies of amino acid side chain analogs for common molecular mechanics water models.

9 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Reconstructing the protein-water interface.

27 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

Role of water on unfolding kinetics of helical peptides studied by molecular dynamics simulations

27 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3134239

On the mechanism of hydrophobic association of nanoscopic solutes

27 September 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21765968

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Electrostatic solvation free energy of amino acid side chain analogs: implications for the validity of electrostatic linear response in water

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21765968

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Modeling high-resolution hydration patterns in correlation with DNA sequence and conformation

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21765968

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/JZ200609V

1 reference

6 August 2017

1 reference

6 August 2017

1 reference