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Molecular Dynamics Simulations of the Human Ecto-5′-Nucleotidase (h-ecto-5′-NT, CD73): Insights into Protein Flexibility and Binding Site Dynamics., , , and . J. Chem. Inf. Model., 63 (15): 4691-4707 (August 2023)Kinetics for Drug Discovery: an industry-driven effort to target drug residence time, , , , , , , , , and 16 other author(s). Drug Discovery Today, 22 (6): 896 - 911 (2017)Druggability Assessment in TRAPP Using Machine Learning Approaches., , , , and . J. Chem. Inf. Model., 60 (3): 1685-1699 (2020)High throughput in-silico screening against flexible protein receptors., , , , and . J. Cheminformatics, 2 (S-1): 23 (2010)TRAPP: A Tool for Analysis of Transient Binding Pockets in Proteins., , , , , and . Journal of Chemical Information and Modeling, 53 (5): 1235-1252 (2013)TRAPP webserver: predicting protein binding site flexibility and detecting transient binding pockets., , , , , , , and . Nucleic Acids Res., 45 (Webserver-Issue): W325-W330 (2017)Use of exchange maximization to generate starting vectors for self-consistent field calculations on metal cluster/adsorbate systems., , , , and . J. Comput. Chem., 23 (10): 943-949 (2002)