Gary Tresadern

Gary Tresadern

Johnson & Johnson Co. - New Jersey / United States
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 4395825
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person_outline Gary Tresadern's MOST POPULAR ARTICLES
1-) Recognizing pitfalls in virtual screening: a critical reviewT Scior, A Bender, G Tresadern, JL Medina-Franco, K Martínez-Mayorga, ...Journal of chemical information and modeling 52 (4), 867-881, 20124032012
2-) Best practices for alchemical free energy calculations [article v1. 0]ASJS Mey, BK Allen, HEB Macdonald, JD Chodera, DF Hahn, M Kuhn, ...Living journal of computational molecular science 2 (1), 20201852020
3-) Large scale relative protein ligand binding affinities using non-equilibrium alchemyV Gapsys, L Pérez-Benito, M Aldeghi, D Seeliger, H Van Vlijmen, ...Chemical Science 11 (4), 1140-1152, 20201842020
4-) Development and benchmarking of open force field v1. 0.0—the parsley small-molecule force fieldY Qiu, DGA Smith, S Boothroyd, H Jang, DF Hahn, J Wagner, CC Bannan, ...Journal of chemical theory and computation 17 (10), 6262-6280, 20211352021
5-) Molecular blueprint of allosteric binding sites in a homologue of the agonist-binding domain of the α7 nicotinic acetylcholine receptorR Spurny, S Debaveye, A Farinha, K Veys, AM Vos, T Gossas, J Atack, ...Proceedings of the National Academy of Sciences 112 (19), E2543-E2552, 20151242015