(Q34787480)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23813626%20AND%20SRC:MED&resulttype=core&format=json

4 March 2020

title

VinaMPI: facilitating multiple receptor high-throughput virtual docking on high-performance computers (English)

1 reference

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4 March 2020

2

1 reference

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4 March 2020

author name string

Sally R Ellingson

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23813626%20AND%20SRC:MED&resulttype=core&format=json

4 March 2020

Jerome Baudry

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23813626%20AND%20SRC:MED&resulttype=core&format=json

4 March 2020

publication date

1 September 2013

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23813626%20AND%20SRC:MED&resulttype=core&format=json

Journal of Computational Chemistry

4 March 2020

published in

1 reference

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4 March 2020

volume

34

1 reference

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4 March 2020

issue

25

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23813626%20AND%20SRC:MED&resulttype=core&format=json

4 March 2020

page(s)

2212-2221

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23813626%20AND%20SRC:MED&resulttype=core&format=json

Diagnosing the decline in pharmaceutical R&D efficiency

4 March 2020

cites work

1 reference

How does a drug molecule find its target binding site?

21 January 2018

1 reference

Virtual screening of chemical libraries

21 January 2018

1 reference

Structural modelling and dynamics of proteins for insights into drug interactions.

21 January 2018

1 reference

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

21 January 2018

1 reference

A critical assessment of docking programs and scoring functions

21 January 2018

1 reference

Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go.

21 January 2018

1 reference

Accessible high-throughput virtual screening molecular docking software for students and educators

21 January 2018

1 reference

Multilevel Parallelization of AutoDock 4.2.

21 January 2018

1 reference

Message passing interface and multithreading hybrid for parallel molecular docking of large databases on petascale high performance computing machines.

21 January 2018

1 reference

Discovery of drug-like inhibitors of an essential RNA-editing ligase in Trypanosoma brucei

21 January 2018

1 reference

Prediction of potential toxicity and side effect protein targets of a small molecule by a ligand-protein inverse docking approach

21 January 2018

1 reference

Molecular dynamics simulations and drug discovery

21 January 2018

1 reference

Global mapping of pharmacological space

21 January 2018

1 reference

Designed multiple ligands. An emerging drug discovery paradigm

21 January 2018

1 reference

Consensus virtual screening approaches to predict protein ligands.

21 January 2018

1 reference

Benchmarking sets for molecular docking

21 January 2018

1 reference

Exploring chemical space for drug discovery using the chemical universe database

21 January 2018

1 reference

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.23367

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23813626%20AND%20SRC:MED&resulttype=core&format=json

journals/jcc/EllingsonSB13

4 March 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference