Samuel Genheden

Samuel Genheden

AstraZeneca, Sweden - Södertälje / Sweden
Engineering & Technology / Computer Science
AD Scientific Index ID: 4400164
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person_outline Samuel Genheden's MOST POPULAR ARTICLES
1-) The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities Expert opinion on drug discovery 10 (5), 449-461, 2015
2-) AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning Journal of cheminformatics 12 (1), 70, 2020
3-) How to obtain statistically converged MM/GBSA results Journal of computational chemistry 31 (4), 837-846, 2010
4-) Protein flexibility and conformational entropy in ligand design targeting the carbohydrate recognition domain of galectin-3C Diehl, O Engstrom, T Delaine, M Håkansson, S Genheden, K Modig, ...Journal of the American Chemical Society 132 (41), 14577-14589, 20102522010
5-) The normal-mode entropy in the MM/GBSA method: effect of system truncation, buffer region, and dielectric constantS Genheden, O Kuhn, P Mikulskis, D Hoffmann, U RydeJournal of chemical information and modeling 52 (8), 2079-2088, 20122112012