Josh V. Vermaas - researchr alias

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Viewing Publication 1 - 3 from 3

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]

GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 ResearchScott Legrand, Aaron Scheinberg, Andreas F. Tillack, Mathialakan Thavappiragasam, Josh V. Vermaas, Rupesh Agarwal, Jeff Larkin, Duncan Poole, Diogo Santos-Martins, Leonardo Solis-Vasquez, Andreas Koch 0001, Stefano Forli, Oscar R. Hernandez, Jeremy C. Smith, Ada Sedova. bcb 2020: [doi]

2016

TopoGromacs: Automated Topology Conversion from CHARMM to GROMACS within VMDJosh V. Vermaas, David J. Hardy, John E. Stone, Emad Tajkhorshid, Axel Kohlmeyer. jcisd, 56(6):1112-1116, 2016. [doi]

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