Sotabase

Career

· Assistant Professor, McGill University2025–
· Postdoctoral Fellow, Toronto Metropolitan University2023–2025
· Doctor of Philosophy - PhD, Politics, New York University2019–2024
· Master’s Degree, Political Science, McGill University2016–2018
· Bachelor of Environmental Studies, Political Science and Urban Planning, University of Waterloo2011–2016

Publications (40)

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born
Journal of Chemical Theory and Computation · 2012
1,904
cited
Recent developments in the PySCF program package.
Journal of Chemical Physics · 2020
1,051
cited
Dynamic microscopy of nanoscale cluster growth at the solid–liquid interface
Nature Materials · 2003
727
cited
NWChem: Past, present, and future.
Journal of Chemical Physics · 2020
555
cited
Safe Hardware Access with the Xen Virtual Machine Monitor
2007
408
cited
Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms
Journal of Chemical Information and Modeling · 2012
259
cited
Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS Aggregators
Journal of Chemical Information and Modeling · 2004
87
cited
CHAMBER: Comprehensive support for CHARMM force fields within the AMBER software
2009
83
cited
Reconstructing I/O
2004
61
cited
FAst MEtabolizer (FAME): A Rapid and Accurate Predictor of Sites of Metabolism in Multiple Species by Endogenous Enzymes
Journal of Chemical Information and Modeling · 2013
51
cited
Prediction of Cytochrome P450 Xenobiotic Metabolism: Tethered Docking and Reactivity Derived from Ligand Molecular Orbital Analysis
Journal of Chemical Information and Modeling · 2013
37
cited
How Do Metabolites Differ from Their Parent Molecules and How Are They Excreted?
Journal of Chemical Information and Modeling · 2013
33
cited
Advancements in Molecular Dynamics Simulations of Biomolecules on Graphical Processing Units
2010
29
cited
Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers
Journal of Cheminformatics · 2014
29
cited
A Surface Site Interaction Point Method for Dissipative Particle Dynamics Parametrization: Application to Alkyl Ethoxylate Surfactant Self-Assembly
Journal of Physical Chemistry B · 2020
28
cited
Liquid Phase Migration in the Extrusion of Icing Sugar Pastes
1998
28
cited
NMR measurements of ionic mobility in model polymer electrolyte solutions
1998
27
cited
NMR studies of ionic mobility in polymer gel electrolytes for advanced lithium batteries
1999
26
cited
NMR measurements of self diffusion in polymer gel electrolytes
1999
22
cited
Functional group interaction profiles: a general treatment of solvent effects on non-covalent interactions†
Chemical Science · 2020
21
cited
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Mark Williamson | Researcher Profile | Sotabase | Sotabase