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Molecular Dynamics and Calcium Binding Studies on Troponin CLindert, Steffen; Kekenes-Huskey, Peter; McCammon, J. Andrew · Biophysical Journal · 2012
Farnesyl Diphosphate Synthase Inhibitors from <i>In Silico</i> ScreeningLindert, Steffen; Zhu, Wei; Liu, Yi-Liang; Pang, Ran; Oldfield, Eric; McCammon, J. Andrew · Chemical Biology & Drug Design · 2013
Designing a High Affinity Cardiac Troponin ActivatorCai, Fangze; Li, Monica; Pineda-Sanabria, Sandra; Gelozia, Shorena; Lindert, Steffen; McCammon, J. Andrew; West, Frederick; Sykes, Brian; Hwang, Peter · Biophysical Journal · 2016
In silicoscreening forPlasmodium falciparumenoyl-ACP reductase inhibitorsLindert, Steffen; Tallorin, Lorillee; Nguyen, Quynh G.; Burkart, Michael D.; McCammon, J. Andrew · Journal of Computer-Aided Molecular Design · 2015
Dynamics of <i>Plasmodium falciparum</i> enoyl-ACP reductase and implications on drug discoveryLindert, Steffen; McCammon, J. Andrew · Protein Science · 2012
Exploring the role of receptor flexibility in structure-based drug discoveryFeixas, Ferran; Lindert, Steffen; Sinko, William; McCammon, J. Andrew · Biophysical Chemistry · 2014
Iterative Molecular Dynamics—Rosetta Protein Structure Refinement Protocol to Improve Model QualityLindert, Steffen; Meiler, Jens; McCammon, J. Andrew · Journal of Chemical Theory and Computation · 2013
Computer-Aided Drug Discovery Approach Finds Calcium Sensitizer of Cardiac TroponinLindert, Steffen; Li, Monica X.; Sykes, Brian; McCammon, J. Andrew · Biophysical Journal · 2015
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