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Jas Kalayan
Publication Activity (10 Years)
Years Active: 2021-2021
Publications (10 Years): 2
Top Topics
Prediction Accuracy
Minimum Energy
Multiscale
Shannon Entropy
Top Venues
J. Comput. Aided Mol. Des.
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Publications
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Hafiz Saqib Ali
,
Arghya Chakravorty
,
Jas Kalayan
,
Sam P. de Visser
,
Richard H. Henchman
Energy-entropy method using multiscale cell correlation to calculate binding free energies in the SAMPL8 host-guest challenge.
J. Comput. Aided Mol. Des.
35 (8) (2021)
Fabio Falcioni
,
Jas Kalayan
,
Richard H. Henchman
Energy-entropy prediction of octanol-water logP of SAMPL7 N-acyl sulfonamide bioisosters.
J. Comput. Aided Mol. Des.
35 (7) (2021)