CoVAMPnet: Comparative Markov State Analysis for Studying Effects of Drug Candidates on Disordered Biomolecules
S. M. Marques, P. Kouba, A. Legrand, J. Sedlar, L. Disson, J. Planas-Iglesias, Z. Sanusi, A. Kunka, J. Damborsky, T. Pajdla, Z. Prokop, S. Mazurenko, J. Sivic, 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.
bioRxiv · Jan 6, 2023Biophysics