Anna Pavlova - researchr alias

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Viewing Publication 1 - 5 from 5

2020

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19A. Acharya, Rupesh Agarwal, Matthew B. Baker, Jérôme Baudry, Debsindhu Bhowmik, Swen Böhm, K. G. Byler, S. Y. Chen, Leighton Coates, C. J. Cooper, O. Demerdash, Isabella Daidone, John D. Eblen, Sally R. Ellingson, Stefano Forli, J. Glaser, James C. Gumbart, J. Gunnels, Oscar R. Hernandez, Stephan Irle, D. W. Kneller, A. Kovalevsky, Jeffrey M. Larkin, T. J. Lawrence, Scott Legrand, S.-H. Liu, J. C. Mitchell, G. Park, Jerry M. Parks, Anna Pavlova, Loukas Petridis, Duncan Poole, L. Pouchard, A. Ramanathan, D. M. Rogers, Diogo Santos-Martins, Aaron Scheinberg, Ada Sedova, Y. Shen, Jeremy C. Smith, Micholas Dean Smith, C. Soto, A. Tsaris, Mathialakan Thavappiragasam, Andreas F. Tillack, Josh V. Vermaas, V. Q. Vuong, J. Yin, S. Yoo, M. Zahran, Laura Zanetti Polzi. jcisd, 60(12):5832-5852, 2020. [doi]

2016

Simulation-Based Approaches for Determining Membrane Permeability of Small CompoundsChristopher T. Lee, Jeffrey Comer, Conner Herndon, Nelson Leung, Anna Pavlova, Robert V. Swift, Chris Tung, Christopher N. Rowley, Rommie E. Amaro, Christophe Chipot, Yi Wang, James C. Gumbart. jcisd, 56(4):721-733, 2016. [doi]

2015

Parametrization of macrolide antibiotics using the force field toolkitAnna Pavlova, James C. Gumbart. jcc, 36(27):2052-2063, 2015. [doi]

2008

Multiplicity in general financial equilibrium with portfolio constraintsSuleyman Basak, David Cass, Juan Manuel Licari, Anna Pavlova. jet, 142(1):100-127, 2008. [doi]

2004

On trees and logsDavid Cass, Anna Pavlova. jet, 116(1):41-83, 2004. [doi]

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