CoVAMPnet: Comparative Markov State Analysis for Studying Effects of Drug Candidates on Disordered Biomolecules
S. M. Marques, P. Kouba, A. Legrand…·D. Bednar
This paper introduces CoVAMPnet, a framework to analyze how drug candidates affect disordered biomolecules, finding that TMP and SPA preserve structured conformations of Aβ42.