David Hahn

David Hahn

Johnson & Johnson Co. - New Jersey / United States
Medical and Health Sciences / Pharmacy & Pharmaceutical Sciences
AD Scientific Index ID: 4847508
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person_outline David Hahn's MOST POPULAR ARTICLES
1-) Best practices for alchemical free energy calculationsASJS Mey, B Allen, HEB Macdonald, JD Chodera, M Kuhn, J Michel, ...arXiv preprint arXiv:2008.03067, 2020972020
2-) 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, 2021682021
3-) Development and benchmarking of open force field 2.0. 0: the Sage small molecule force fieldS Boothroyd, PK Behara, OC Madin, DF Hahn, H Jang, V Gapsys, ...Journal of chemical theory and computation 19 (11), 3251-3275, 2023462023
4-) Best practices for constructing, preparing, and evaluating protein-ligand binding affinity benchmarks [article v1. 0]DF Hahn, CI Bayly, ML Boby, HEB Macdonald, JD Chodera, V Gapsys, ...Living journal of computational molecular science 4 (1), 2022582022
5-) Chemical space exploration with active learning and alchemical free energiesY Khalak, G Tresadern, DF Hahn, BL de Groot, V GapsysJournal of Chemical Theory and Computation 18 (10), 6259-6270, 2022542022