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Roseane R. Silva
Roseane R. Silva
Washington University in St. Louis
Computational chemistry
Adaptive sampling
Kinetic Monte Carlo
Sampling (statistics)
Markov chain
5
Papers
40
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Polarizable Water Potential Derived from a Model Electron Density.
2021
Journal of Chemical Theory and Computation
Joshua A. Rackers
Roseane R. Silva
Zhi Wang
Jay W. Ponder
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A Polarizable Water Potential Derived from a Model Electron Density
2021
arXiv: Chemical Physics
Joshua A. Rackers
Roseane R. Silva
Zhi Wang
Jay W. Ponder
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Identification, characterization and molecular modelling studies of Schistosoma mansoni Dihydrofolate Reductase inhibitors: From assay development to hit identification
2018
Current Topics in Medicinal Chemistry
André Lacerda Braga Teles
Roseane R. Silva
Michelle Ko
Glaucio Monteiro Ferreira
Samuel Silva da Rocha Pita
Gustavo Henrique Goulart Trossini
Paulo Carvalho
Marcelo Santos Castilho
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Choice of adaptive sampling strategy impacts state discovery, transition probabilities, and the apparent mechanism of conformational changes.
2018
arXiv: Biomolecules
Maxwell I. Zimmerman
Justin R. Porter
Xianqiang Sun
Roseane R. Silva
Gregory R. Bowman
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Choice of Adaptive Sampling Strategy Impacts State Discovery, Transition Probabilities, and the Apparent Mechanism of Conformational Changes
2018
Journal of Chemical Theory and Computation
Maxwell I. Zimmerman
Justin R. Porter
Xianqiang Sun
Roseane R. Silva
Gregory R. Bowman
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Citations (36)
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