Login / Signup
Soumya S. Ray
Publication Activity (10 Years)
Years Active: 2022-2023
Publications (10 Years): 3
Top Topics
Structural Model
Upper Bound
Drug Design
Sufficiently Accurate
Top Venues
J. Chem. Inf. Model.
CoRR
</>
Publications
</>
Isaac Filella-Merce
,
Alexis Molina
,
Marek Orzechowski
,
Lucía Díaz
,
Yang Ming Zhu
,
Julia Vilalta Mor
,
Laura Malo
,
Ajay S. Yekkirala
,
Soumya S. Ray
,
Victor Guallar
Optimizing Drug Design by Merging Generative AI With Active Learning Frameworks.
CoRR
(2023)
Anna M. Díaz-Rovira
,
Helena Martín
,
Thijs Beuming
,
Lucía Díaz
,
Victor Guallar
,
Soumya S. Ray
Are Deep Learning Structural Models Sufficiently Accurate for Virtual Screening? Application of Docking Algorithms to AlphaFold2 Predicted Structures.
J. Chem. Inf. Model.
63 (6) (2023)
Thijs Beuming
,
Helena Martín
,
Anna M. Díaz-Rovira
,
Lucía Díaz
,
Victor Guallar
,
Soumya S. Ray
Are Deep Learning Structural Models Sufficiently Accurate for Free-Energy Calculations? Application of FEP+ to AlphaFold2-Predicted Structures.
J. Chem. Inf. Model.
62 (18) (2022)