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Sukanya Sasmal
ORCID
Publication Activity (10 Years)
Years Active: 2019-2020
Publications (10 Years): 2
Top Topics
Grand Challenge
Gpu Implementation
Similarity Scores
Drug Design
Top Venues
J. Comput. Aided Mol. Des.
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Publications
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Sukanya Sasmal
,
Lea El-Khoury
,
David L. Mobley
D3R Grand Challenge 4: ligand similarity and MM-GBSA-based pose prediction and affinity ranking for BACE-1 inhibitors.
J. Comput. Aided Mol. Des.
34 (2) (2020)
Lea El-Khoury
,
Diogo Santos-Martins
,
Sukanya Sasmal
,
Jérôme Eberhardt
,
Giulia Bianco
,
Francesca Alessandra Ambrosio
,
Leonardo Solis-Vasquez
,
Andreas Koch
,
Stefano Forli
,
David L. Mobley
Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4.
J. Comput. Aided Mol. Des.
33 (12) (2019)