HBonanza: a computer algorithm for molecular-dynamics-trajectory hydrogen-bond analysis (Q34006658)

30 July 2017

title

HBonanza: a computer algorithm for molecular-dynamics-trajectory hydrogen-bond analysis (English)

1 reference

30 July 2017

2

J Andrew McCammon

1 reference

30 July 2017

Jacob D Durrant

1

1 reference

30 July 2017

publication date

7 August 2011

1 reference

Journal of Molecular Graphics & Modelling

30 July 2017

published in

1 reference

30 July 2017

volume

31

1 reference

30 July 2017

page(s)

5-9

1 reference

BINANA: a novel algorithm for ligand-binding characterization

30 July 2017

cites work

1 reference

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5 July 2018

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Novel naphthalene-based inhibitors of Trypanosoma brucei RNA editing ligase 1

5 July 2018

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5 July 2018

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PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations

5 July 2018

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The origins of femtomolar protein-ligand binding: hydrogen-bond cooperativity and desolvation energetics in the biotin-(strept)avidin binding site

5 July 2018

1 reference

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Comparison of multiple Amber force fields and development of improved protein backbone parameters

5 July 2018

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5 July 2018

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5 July 2018

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5 July 2018

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5 July 2018

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3218086

The PDBbind database: methodologies and updates

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3218086

High resolution crystal structure of a key editosome enzyme from Trypanosoma brucei: RNA editing ligase 1.

5 July 2018

1 reference

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PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3218086

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5 July 2018

1 reference

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Development and testing of a general amber force field

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3218086

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

5 July 2018

1 reference

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Python: a programming language for software integration and development

5 July 2018

1 reference

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5 July 2018

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1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3218086

VMD: visual molecular dynamics

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3218086

Optimal charges in lead progression: a structure-based neuraminidase case study.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3218086

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29 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21880522

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Hydrogen Bonding, Hydrophobic Interactions, and Failure of the Rigid Receptor Hypothesis

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21880522

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1016/J.JMGM.2011.07.008

1 reference

30 July 2017

1 reference

30 July 2017

1 reference