Are Deep Learning Structural Models Sufficiently Accurate for Virtual Screening? Application of Docking Algorithms to AlphaFold2 Predicted Structures-Reference-Cited by-同舟云学术

Are Deep Learning Structural Models Sufficiently Accurate for Virtual Screening? Application of Docking Algorithms to AlphaFold2 Predicted Structures

Author:

Díaz-Rovira Anna M.¹^ORCID,Martín Helena²^ORCID,Beuming Thijs³^ORCID,Díaz Lucía²^ORCID,Guallar Victor¹²⁴^ORCID,Ray Soumya S.⁵⁶

Affiliation:

1. Barcelona Supercomputing Center, Jordi Girona 29, E-08034 Barcelona, Spain

2. Nostrum Biodiscovery S.L., E-08029 Barcelona, Spain

3. Latham Biopharm Group, 101 Main Street, Suite 1400, Cambridge, Massachusetts 02142, United States

4. ICREA, Passeig Lluís Companys 23, E-08010 Barcelona, Spain

5. RA Capital, 200 Berkeley Street, Boston, Massachusetts 02116, United States

6. 3-Dimensional Consulting, 134 Franklin Avenue, Quincy, Massachusetts 02170, United States

Funder

Ministerio de Ciencia e Innovaci?n

RA Capital

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

Reference37 articles.

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