Determining the Electrostatic Contributions of GTPase-GEF Complexes on Interfacial Drug Binding Specificity: A Case Study of a Protein-Drug-Protein Complex.

Abstract excerpt

Understanding the factors that contribute to specificity of protein-protein interactions allows for design of orthosteric small molecules. Within this environment, a small molecule requires both structural and electrostatic complementarity. While the structural contribution to protein-drug-protein specificity is well characterized, electrostatic contributions require more study. To this end, we used a series of...

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