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Ivan Tubert-Brohman

Ivan Tubert-Brohman

Schrodinger LLC - - / United States
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 4523200
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person_outline Ivan Tubert-Brohman's MOST POPULAR ARTICLES
1-) Improved docking of polypeptides with Glide Journal of chemical information and modeling 53 (7), 1689-1699, 2013
2-) Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function … Journal of computer-aided molecular design 26 (6), 787-799, 2012
3-) Construction of model Hamiltonians for adiabatic quantum computation and its application to finding low-energy conformations of lattice protein models Physical Review A—Atomic, Molecular, and Optical Physics 78 (1), 012320, 2008
4-) Reaction-based enumeration, active learning, and free energy calculations to rapidly explore synthetically tractable chemical space and optimize potency of cyclin-dependent … Journal of chemical information and modeling 59 (9), 3782-3793, 2019
5-) Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens Journal of computational chemistry 25 (1), 138-150, 2004