Literature DB >> 28756685

Computer-aided drug design: time to play with novel chemical matter.

Xavier Barril1,2.   

Abstract

Keywords:  Virtual screening; chemical space; computational chemistry; drug discovery; virtual synthetic chemistry

Mesh：

Year:  2017        PMID： 28756685     DOI： 10.1080/17460441.2017.1362386

Source DB:  PubMed          Journal:  Expert Opin Drug Discov        ISSN： 1746-0441            Impact factor:   6.098


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  4 in total

1.  Interrogating dense ligand chemical space with a forward-synthetic library.

Authors:  Florent Chevillard; Silvia Stotani; Anna Karawajczyk; Stanimira Hristeva; Els Pardon; Jan Steyaert; Dimitrios Tzalis; Peter Kolb
Journal:  Proc Natl Acad Sci U S A       Date:  2019-05-21       Impact factor: 11.205

2.  Next Generation Techniques for Determination of Protein-Protein Interactions: Beyond the Crystal Structure.

Authors:  Rachel Carter; Alessandra Luchini; Lance Liotta; Amanda Haymond
Journal:  Curr Pathobiol Rep       Date:  2019-07-01

3.  Computational Design of Inhibitors Targeting the Catalytic β Subunit of Escherichia coli FOF1-ATP Synthase.

Authors:  Luis Pablo Avila-Barrientos; Luis Fernando Cofas-Vargas; Guillermin Agüero-Chapin; Enrique Hernández-García; Sergio Ruiz-Carmona; Norma A Valdez-Cruz; Mauricio Trujillo-Roldán; Joachim Weber; Yasser B Ruiz-Blanco; Xavier Barril; Enrique García-Hernández
Journal:  Antibiotics (Basel)       Date:  2022-04-22

Review 4.  Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges.

Authors:  Isabella A Guedes; Felipe S S Pereira; Laurent E Dardenne
Journal:  Front Pharmacol       Date:  2018-09-24       Impact factor: 5.810
  4 in total

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