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Description and control of dissociation channels in gas-phase protein complexesThachuk, Mark; Fegan, Sarah K.; Raheem, Nigare · The Journal of Chemical Physics · 2016
Controlling Dissociation Channels of Gas-Phase Protein Complexes Using Charge ManipulationFegan, Sarah K.; Thachuk, Mark · Journal of The American Society for Mass Spectrometry · 2014
Suitability of the MARTINI Force Field for Use with Gas-Phase Protein ComplexesFegan, Sarah K.; Thachuk, Mark · Journal of Chemical Theory and Computation · 2012
Gaussian Expansions of OrbitalsMcKemmish, Laura K.; Gill, Peter M. W. · Journal of Chemical Theory and Computation · 2012
Free Energy Guided SamplingZhou, Ting; Caflisch, Amedeo · Journal of Chemical Theory and Computation · 2012
On Reaction Coordinate OptimalityKrivov, Sergei V. · Journal of Chemical Theory and Computation · 2013
Metadynamics with Adaptive GaussiansBranduardi, Davide; Bussi, Giovanni; Parrinello, Michele · Journal of Chemical Theory and Computation · 2012
Symmetry Conservation in Fukui FunctionsFlores-Moreno, Roberto · Journal of Chemical Theory and Computation · 2010
Transient Polymorphism in NaClGiberti, Federico; Tribello, Gareth A.; Parrinello, Michele · Journal of Chemical Theory and Computation · 2013
Developments in Theoretical ChemistryMcCoy, Anne B.; Scuseria, Gustavo E. · Journal of Chemical Theory and Computation · 2014
Connecting Pauling and Mulliken ElectronegativitiesHerrick, David R. · Journal of Chemical Theory and Computation · 2005