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Anna Pavlova
Georgia Institute of Technology - Atlanta / United States
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 1410293
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Anna Pavlova's MOST POPULAR ARTICLES
1-)
Simulation-based approaches for determining membrane permeability of small compoundsCT Lee, J Comer, C Herndon, N Leung, A Pavlova, RV Swift, C Tung, ...Journal of chemical information and modeling 56 (4), 721-733, 20161712016
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Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19A Acharya, R Agarwal, MB Baker, J Baudry, D Bhowmik, S Boehm, ...Journal of chemical information and modeling 60 (12), 5832-5852, 20201042020
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Accelerating membrane simulations with hydrogen mass repartitioningC Balusek, H Hwang, CH Lau, K Lundquist, A Hazel, A Pavlova, DL Lynch, ...Journal of chemical theory and computation 15 (8), 4673-4686, 2019792019
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Understanding the Role of Water in Aqueous Ruthenium‐Catalyzed Transfer Hydrogenation of Ketones.A Pavlova, EJ MeijerChemPhysChem 13 (15), 3492-3496, 2012832012
5-)
Accurate determination of protein: ligand standard binding free energies from molecular dynamics simulationsH Fu, H Chen, M Blazhynska, E Goulard Coderc de Lacam, ...Nature protocols 17 (4), 1114-1141, 2022692022
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