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

Quantum tunnelling in enzyme-catalysed reactions

por Allemann, Rudolf K, Scrutton, Nigel S, Carpenter, Barry, de Visser, Samuel P, Truhlar, Donald G, Hammes-Schiffer, Sharon, Lilley, David M J, Clore, Marius, Neidle, Stephen
Publicado 2009