High-throughput docking for lead generation (Q30663788)

26 June 2017

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title

High-throughput docking for lead generation (English)

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26 June 2017

Abagyan R

1

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26 June 2017

Totrov M

series ordinal

2

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26 June 2017

publication date

1 August 2001

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Current Opinion in Chemical Biology

26 June 2017

published in

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26 June 2017

volume

5

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26 June 2017

issue

4

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26 June 2017

page(s)

375-382

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Recent advances in structure-based rational drug design.

26 June 2017

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7 January 2021

Design, docking, and evaluation of multiple libraries against multiple targets

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7 January 2021

CombiDOCK: structure-based combinatorial docking and library design

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7 January 2021

Docking molecules by families to increase the diversity of hits in database screens: computational strategy and experimental evaluation

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7 January 2021

Rational discovery of novel nuclear hormone receptor antagonists

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7 January 2021

A method for including protein flexibility in protein-ligand docking: improving tools for database mining and virtual screening

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7 January 2021

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Evaluation of PMF scoring in docking weak ligands to the FK506 binding protein

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7 January 2021

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7 January 2021

Comparison of two implementations of the incremental construction algorithm in flexible docking of thrombin inhibitors.

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7 January 2021

Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking

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7 January 2021

Evaluation of docking/scoring approaches: a comparative study based on MMP3 inhibitors.

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7 January 2021

Quantitative structure-activity relationship studies of progesterone receptor binding steroids.

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7 January 2021

Identification of ligands for RNA targets via structure-based virtual screening: HIV-1 TAR.

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7 January 2021

The discovery of steroids and other novel FKBP inhibitors using a molecular docking program

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7 January 2021

Successful Virtual Screening of a Chemical Database for Farnesyltransferase Inhibitor Leads

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7 January 2021

Combinatorial docking and combinatorial chemistry: design of potent non-peptide thrombin inhibitors

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7 January 2021

Novel inhibitors of DNA gyrase: 3D structure based biased needle screening, hit validation by biophysical methods, and 3D guided optimization. A promising alternative to random screening

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7 January 2021

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7 January 2021

Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule

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7 January 2021

High throughput docking for library design and library prioritization

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7 January 2021

Docking ligands onto binding site representations derived from proteins built by homology modelling.

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7 January 2021

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Identifiers

DOI

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26 June 2017

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