Jas Kalayan

According to our database, Jas Kalayan authored at least 4 papers between 2021 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2024

Molecular dynamics simulations as a guide for modulating small molecule aggregation.

Azam Nesabi, Jas Kalayan, Sara Al Rawashdeh, Mohammad A. Ghattas, Richard A. Bryce

J. Comput. Aided Mol. Des., December, 2024

A neural network potential based on pairwise resolved atomic forces and energies.

Jas Kalayan, Ismaeel Ramzan, Christopher D. Williams, Richard A. Bryce, Neil A. Burton

J. Comput. Chem., May, 2024

2021

Energy-entropy prediction of octanol-water logP of SAMPL7 N-acyl sulfonamide bioisosters.

Fabio Falcioni, Jas Kalayan, Richard H. Henchman

J. Comput. Aided Mol. Des., 2021

Energy-entropy method using multiscale cell correlation to calculate binding free energies in the SAMPL8 host-guest challenge.

Hafiz Saqib Ali, Arghya Chakravorty, Jas Kalayan, Sam P. de Visser, Richard H. Henchman

J. Comput. Aided Mol. Des., 2021