Moradi, Mahmoud

Binding Affinity Estimation from Restrained Umbrella Sampling Simulations

Kumar, V. G., Agrawal, S., Kumar, T., & Moradi, M. (2022) · Nature Computational Science

Protein Structure and DynamicsComputational Drug Discovery Methods

Cited by 68

Lipid-Dependent Alternating Access Mechanism of a Bacterial Multidrug ABC Exporter

Immadisetty, K., Hettige, J., & Moradi, M. (2019) · ACS Central Science

Drug Transport and Resistance MechanismsLipid Membrane Structure and Behavior

Cited by 38

Addressing the Embeddability Problem in Transition Rate Estimation

Goolsby, C., Losey, J., Xu, Y., Düker, M.-C., Sherman, M. G., Matteson, D. S., & Moradi, M. (2019) · The Journal of Physical Chemistry A

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 6