Publications by authors named "Kalyan Modugula"

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General Theory of Fragment Linking in Molecular Design: Why Fragment Linking Rarely Succeeds and How to Improve Outcomes.
Haoyu S Yu, Kalyan Modugula, Osamu Ichihara, Kimberly Kramschuster, Simon Keng

J Chem Theory Comput· January 2021

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Advancing Free-Energy Calculations of Metalloenzymes in Drug Discovery via Implementation of LFMM Potentials.
Steven Dajnowicz, Delaram Ghoreishi, Kalyan Modugula, Wolfgang Damm, Edward D Harder

J Chem Theory Comput· November 2020

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