(Q48570844)

English

Task-parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using high-performance super-computers

scientific article published on 7 December 2010

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scholarly article

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Europe PubMed Central

PubMed publication ID

12 February 2018

http://europepmc.org/abstract/MED/21387347

Task-parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using high-performance super-computers (English)

1 reference

Europe PubMed Central

PubMed publication ID

12 February 2018

http://europepmc.org/abstract/MED/21387347

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3

1 reference

Europe PubMed Central

PubMed publication ID

12 February 2018

http://europepmc.org/abstract/MED/21387347

object named as

Roland Schulz

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author name string

Barbara Collignon

1

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Europe PubMed Central

PubMed publication ID

12 February 2018

http://europepmc.org/abstract/MED/21387347

Jerome Baudry

4

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Europe PubMed Central

PubMed publication ID

12 February 2018

http://europepmc.org/abstract/MED/21387347

publication date

7 December 2010

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Europe PubMed Central

PubMed publication ID

12 February 2018

http://europepmc.org/abstract/MED/21387347

Journal of Computational Chemistry

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Europe PubMed Central

PubMed publication ID

12 February 2018

http://europepmc.org/abstract/MED/21387347

32

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Europe PubMed Central

PubMed publication ID

12 February 2018

http://europepmc.org/abstract/MED/21387347

6

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Europe PubMed Central

PubMed publication ID

12 February 2018

http://europepmc.org/abstract/MED/21387347

1202-1209

1 reference

Europe PubMed Central

PubMed publication ID

12 February 2018

http://europepmc.org/abstract/MED/21387347

Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptors

1 reference

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970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13

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1 reference

https://api.crossref.org/works/10.1002%2FJCC.21696

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Matching chemistry and shape in molecular docking

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A geometric approach to macromolecule-ligand interactions

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Development and validation of a modular, extensible docking program: DOCK 5.

1 reference

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VSDocker: a tool for parallel high-throughput virtual screening using AutoDock on Windows-based computer clusters.

1 reference

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21 January 2018

DOVIS 2.0: an efficient and easy to use parallel virtual screening tool based on AutoDock 4.0.

1 reference

https://api.crossref.org/works/10.1002%2FJCC.21696

21 January 2018

Benchmarking sets for molecular docking

1 reference

https://api.crossref.org/works/10.1002%2FJCC.21696

21 January 2018

The Protein Data Bank

1 reference

https://api.crossref.org/works/10.1002%2FJCC.21696

21 January 2018

Parallel implementation ofAutoDock

1 reference

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21 January 2018

Identifiers

10.1002/JCC.21696

1 reference

Europe PubMed Central

PubMed publication ID

12 February 2018

http://europepmc.org/abstract/MED/21387347

DBLP publication ID

journals/jcc/CollignonSSB11

1 reference

DBLP Dataset 2021-01-02

28 January 2021

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

12 February 2018

http://europepmc.org/abstract/MED/21387347

ResearchGate publication ID

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