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

por Falcioni, Fabio, Kalayan, Jas, Henchman, Richard H.
Publicado 2021

Entropy of Simulated Liquids Using Multiscale Cell Correlation

por Ali, Hafiz Saqib, Higham, Jonathan, Henchman, Richard H.
Publicado 2019

Total free energy analysis of fully hydrated proteins

por Kalayan, Jas, Chakravorty, Arghya, Warwicker, Jim, Henchman, Richard H.
Publicado 2022

Lignin Biodegradation by a Cytochrome P450 Enzyme: A Computational Study into Syringol Activation by GcoA

por Ali, Hafiz Saqib, Henchman, Richard H., de Visser, Sam P.
Publicado 2020

Thermodynamic Origin of Differential Excipient-Lysozyme Interactions

por Kalayan, Jas, Curtis, Robin A., Warwicker, Jim, Henchman, Richard H.
Publicado 2021

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

por Ali, Hafiz Saqib, Chakravorty, Arghya, Kalayan, Jas, de Visser, Samuel P., Henchman, Richard H.
Publicado 2021