Emerging frontiers in virtual drug discovery: From quantum mechanical methods to deep learning approaches

Author:

Gorgulla ChristophORCID,Jayaraj Abhilash,Fackeldey Konstantin,Arthanari HaribabuORCID

Funder

National Institutes of Health

NIGMS

Army Research Office

Berlin Mathematics Research Center MATH+

Publisher

Elsevier BV

Subject

Biochemistry,Analytical Chemistry

Reference85 articles.

1. The art and practice of structure-based drug design: a molecular modeling perspective;Bohacek;Med Res Rev,1996

2. Accounting of receptor flexibility in ultra-large virtual screens with VirtualFlow using a grey wolf optimization method;Gorgulla;Supercomputing Frontiers and Innovations,2020

3. VirtualFlow ants—ultra-large virtual screenings with artificial intelligence driven docking algorithm based on ant colony optimization;Gorgulla;Int J Mol Sci,2021

4. GWOVina: a grey wolf optimization approach to rigid and flexible receptor docking;Wong;Chem Biol Drug Des,2020

5. PLANTS: application of ant colony optimization to structure-based drug design;Korb,2006

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