Water Thermodynamics of Peptide Toxin Binding Sites on Ion Channels

por Shah, Binita, Sindhikara, Dan, Borrelli, Ken, Leffler, Abba E.
Publicado 2020

Potency-Enhancing Mutations of Gating Modifier Toxins for the Voltage-Gated Sodium Channel Na(V)1.7 Can Be Predicted Using Accurate Free-Energy Calculations

por Katz, Dana, Sindhikara, Dan, DiMattia, Michael, Leffler, Abba E.
Publicado 2021

Potency- and Selectivity-Enhancing Mutations of Conotoxins for Nicotinic Acetylcholine Receptors Can Be Predicted Using Accurate Free-Energy Calculations

por Katz, Dana, DiMattia, Michael A., Sindhikara, Dan, Li, Hubert, Abraham, Nikita, Leffler, Abba E.
Publicado 2021

How does a small molecule bind at a cryptic binding site?

por Shan, Yibing, Mysore, Venkatesh P., Leffler, Abba E., Kim, Eric T., Sagawa, Shiori, Shaw, David E.
Publicado 2022