Docking molecules by families to increase the diversity of hits in database screens: computational strategy and experimental evaluation (Q43512278)

24 November 2017

title

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

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24 November 2017

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24 November 2017

Lorber DM

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24 November 2017

Weston GS

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24 November 2017

Baase WA

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24 November 2017

Matthews BW

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24 November 2017

Shoichet BK

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24 November 2017

language of work or name

English

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publication date

1 February 2001

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24 November 2017

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24 November 2017

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24 November 2017

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24 November 2017

page(s)

279-293

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Automated docking of substrates to proteins by simulated annealing

24 November 2017

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21 January 2018

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Predicting structural effects in HIV-1 protease mutant complexes with flexible ligand docking and protein side-chain optimization

21 January 2018

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A potent new mode of beta-lactamase inhibition revealed by the 1.7 A X-ray crystallographic structure of the TEM-1-BLIP complex.

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Antibiotic sensitization using biphenyl tetrazoles as potent inhibitors of Bacteroides fragilis metallo-beta-lactamase

21 January 2018

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An example of a protein ligand found by database mining: description of the docking method and its verification by a 2.3 A X-ray structure of a thrombin-ligand complex.

21 January 2018

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21 January 2018

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Enhancing the diversity of a corporate database using chemical database clustering and analysis

21 January 2018

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Molecular diversity in chemical databases: comparison of medicinal chemistry knowledge bases and databases of commercially available compounds.

21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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A cavity-containing mutant of T4 lysozyme is stabilized by buried benzene

21 January 2018

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Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets

21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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Calculation of electrostatic potentials in an enzyme active site

21 January 2018

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10.1002/1097-0134(20010201)42:2<279::AID-PROT150>3.0.CO;2-U

21 January 2018

Identifiers

DOI

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24 November 2017

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