Publications by authors named "Ken Borrelli"

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Quantitatively Accounting for Protein Reorganization in Computer-Aided Drug Design.
Mikolai Fajer, Ken Borrelli, Robert Abel, Lingle Wang

J Chem Theory Comput· June 2023

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Water Thermodynamics of Peptide Toxin Binding Sites on Ion Channels.
Binita Shah, Dan Sindhikara, Ken Borrelli, Abba E Leffler

Toxins (Basel)· October 2020

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High throughput evaluation of macrocyclization strategies for conformer stabilization.
Dan Sindhikara, Ken Borrelli

Sci Rep· April 2018

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Improving Accuracy, Diversity, and Speed with Prime Macrocycle Conformational Sampling.
Dan Sindhikara, Steven A Spronk, Tyler Day, Ken Borrelli, Daniel L Cheney

J Chem Inf Model· August 2017

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Prediction of Protein-Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics Simulations.
Anthony J Clark, Pratyush Tiwary, Ken Borrelli, Shulu Feng, Edward B Miller

J Chem Theory Comput· June 2016

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