Literature DB >> 34912059

A virtual drug-screening approach to conquer huge chemical libraries.

Charlotte Deane, Maranga Mokaya.   

Abstract

Entities:  

Keywords:  Chemical biology; Drug discovery; Structural biology

Mesh：

Substances：

Year:  2022        PMID： 34912059     DOI： 10.1038/d41586-021-03682-1

Source DB:  PubMed          Journal:  Nature        ISSN： 0028-0836            Impact factor:   49.962


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  4 in total

1.  De Novo Design at the Edge of Chaos.

Authors:  Petra Schneider; Gisbert Schneider
Journal:  J Med Chem       Date:  2016-02-16       Impact factor: 7.446

Review 2.  The art and practice of structure-based drug design: a molecular modeling perspective.

Authors:  R S Bohacek; C McMartin; W C Guida
Journal:  Med Res Rev       Date:  1996-01       Impact factor: 12.944

3.  Strengths and Weaknesses of Docking Simulations in the SARS-CoV-2 Era: the Main Protease (Mpro) Case Study.

Authors:  Manuel A Llanos; Melisa E Gantner; Santiago Rodriguez; Lucas N Alberca; Carolina L Bellera; Alan Talevi; Luciana Gavernet
Journal:  J Chem Inf Model       Date:  2021-07-27       Impact factor: 4.956

4.  One Size Does Not Fit All: The Limits of Structure-Based Models in Drug Discovery.

Authors:  Gregory A Ross; Garrett M Morris; Philip C Biggin
Journal:  J Chem Theory Comput       Date:  2013-08-05       Impact factor: 6.006
  4 in total

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