Jas Kalayan

Total free energy analysis of fully hydrated proteins

Richard H. Henchman, J. Warwicker, A. Chakravorty, 2022, Proteins.

The Attraction of Water for Itself at Hydrophobic Quartz Interfaces.

Richard H. Henchman, A. Christofferson, Q. Besford, 2020, The journal of physical chemistry. B.

A Model for Counterion Binding and Charge Reversal on Protein Surfaces.

Richard H. Henchman, J. Warwicker, Jas Kalayan, 2019, Molecular pharmaceutics.

Convergence behaviour of solvation shells in simulated liquids.

Richard H. Henchman, Jas Kalayan, 2021, Physical chemistry chemical physics : PCCP.

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

Richard H. Henchman, S. D. de Visser, H. S. Ali, 2021, Journal of Computer-Aided Molecular Design.

Thermodynamic Origin of Differential Excipient-Lysozyme Interactions

Richard H. Henchman, J. Warwicker, R. Curtis, 2021, Frontiers in Molecular Biosciences.

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

Richard H. Henchman, Jas Kalayan, F. Falcioni, 2021, Journal of Computer-Aided Molecular Design.

Molecular dynamics simulations as a guide for modulating small molecule aggregation

Mohammad A. Ghattas, Sara Al Rawashdeh, Jas Kalayan, 2024, J. Comput. Aided Mol. Des..