(Q34531578)

English

Assessing the performance of the MM/PBSA and MM/GBSA methods. 1. The accuracy of binding free energy calculations based on molecular dynamics simulations

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scholarly article

1 reference

Europe PubMed Central

2 August 2017

Assessing the performance of the MM/PBSA and MM/GBSA methods. 1. The accuracy of binding free energy calculations based on molecular dynamics simulations (English)

1 reference

Europe PubMed Central

2 August 2017

1

object named as

Tingjun Hou

1 reference

Europe PubMed Central

2 August 2017

object named as

Junmei Wang

2

0 references

object named as

Youyong Li

3

0 references

4

object named as

Wei Wang

1 reference

Europe PubMed Central

2 August 2017

publication date

30 November 2010

1 reference

Europe PubMed Central

2 August 2017

Journal of Chemical Information and Modeling

1 reference

Europe PubMed Central

2 August 2017

51

1 reference

Europe PubMed Central

2 August 2017

69-82

1 reference

Europe PubMed Central

2 August 2017

1

1 reference

Europe PubMed Central

2 August 2017

Characterization of domain-peptide interaction interface: a generic structure-based model to decipher the binding specificity of SH3 domains

1 reference

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Can MM-PBSA calculations predict the specificities of protein kinase inhibitors?

1 reference

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Thermodynamics of the binding of biotin and some analogues by avidin

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Automatic atom type and bond type perception in molecular mechanical calculations

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Computational analysis and prediction of the binding motif and protein interacting partners of the Abl SH3 domain

1 reference

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The Amber biomolecular simulation programs

1 reference

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Binding affinity prediction with different force fields: examination of the linear interaction energy method

1 reference

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Development and testing of a general amber force field

1 reference

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Exploring protein native states and large-scale conformational changes with a modified generalized born model

1 reference

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1 reference

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1 reference

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1 reference

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1 reference

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Binding of a diverse set of ligands to avidin and streptavidin: an accurate quantitative prediction of their relative affinities by a combination of molecular mechanics and continuum solvent models

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3029230

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Ranking ligand binding affinities with avidin: a molecular dynamics-based interaction energy study

1 reference

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1 reference

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Reduced surface: an efficient way to compute molecular surfaces

1 reference

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Three-dimensional structure of the tetragonal crystal form of egg-white avidin in its functional complex with biotin at 2.7 A resolution

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3029230

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The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

1 reference

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On the magnitude of the electrostatic contribution to ligand-DNA interactions

1 reference

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High-resolution crystal structure of cytochrome P450cam

1 reference

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Free energy via molecular simulation: applications to chemical and biomolecular systems

1 reference

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1 reference

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Characterization of domain-peptide interaction interface: a case study on the amphiphysin-1 SH3 domain

1 reference

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1 reference

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Ligand affinities predicted with the MM/PBSA method: dependence on the simulation method and the force field.

1 reference

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1 reference

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1 reference

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1 reference

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1 reference

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https://pubmed.ncbi.nlm.nih.gov/21117705

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Identifiers

10.1021/CI100275A

1 reference

Europe PubMed Central

2 August 2017

DBLP publication ID

journals/jcisd/HouWL011

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

Europe PubMed Central

2 August 2017

1 reference

Europe PubMed Central

2 August 2017

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