Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential (Q37364377)

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scientific article published on August 2009

Language	Label	Description	Also known as
English	Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential	scientific article published on August 2009

Statements

scholarly article

1 reference

Europe PubMed Central

PMC publication ID

19 August 2017

Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential (English)

1 reference

Europe PubMed Central

PMC publication ID

19 August 2017

1 reference

based on heuristic

inferred from title

author name string

Dian Jiao

1

1 reference

Europe PubMed Central

PMC publication ID

19 August 2017

Jiajing Zhang

2

1 reference

Europe PubMed Central

PMC publication ID

19 August 2017

Robert E Duke

3

1 reference

Europe PubMed Central

PMC publication ID

19 August 2017

Guohui Li

4

1 reference

Europe PubMed Central

PMC publication ID

19 August 2017

Michael J Schnieders

5

1 reference

Europe PubMed Central

PMC publication ID

19 August 2017

Pengyu Ren

6

1 reference

Europe PubMed Central

PMC publication ID

19 August 2017

publication date

1 August 2009

1 reference

Europe PubMed Central

PMC publication ID

19 August 2017

Journal of Computational Chemistry

1 reference

Europe PubMed Central

PMC publication ID

19 August 2017

30

1 reference

Europe PubMed Central

PMC publication ID

19 August 2017

11

1 reference

Europe PubMed Central

PMC publication ID

19 August 2017

1701-1711

1 reference

Europe PubMed Central

PMC publication ID

19 August 2017

A theoretical study of aqueous solvation of K comparing ab initio, polarizable, and fixed-charge models

1 reference

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Application of a polarizable force field to calculations of relative protein-ligand binding affinities

1 reference

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Developing polarized protein-specific charges for protein dynamics: MD free energy calculation of pKa shifts for Asp26/Asp20 in thioredoxin

1 reference

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6 September 2017

Calculation of protein-ligand binding free energy by using a polarizable potential

1 reference

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6 September 2017

Recent advances in implicit solvent-based methods for biomolecular simulations

1 reference

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Implicit modeling of nonpolar solvation for simulating protein folding and conformational transitions.

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Polarizable atomic multipole solutes in a Poisson-Boltzmann continuum

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Calculation of protein-ligand binding affinities.

1 reference

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Trypsin specificity as elucidated by LIE calculations, X-ray structures, and association constant measurements

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The many roles of computation in drug discovery

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Force fields for protein simulations

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1 reference

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1 reference

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Protein/Ligand Binding Free Energies Calculated with Quantum Mechanics/Molecular Mechanics

1 reference

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1 reference

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Distributed Multipole Analysis: Stability for Large Basis Sets

1 reference

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Identifiers

10.1002/JCC.21268

1 reference

Europe PubMed Central

PMC publication ID

19 August 2017

DBLP publication ID

journals/jcc/JiaoZDLSR09

1 reference

DBLP Dataset 2021-01-02

28 January 2021

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

19 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

19 August 2017

ResearchGate publication ID

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