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Journal of Chemical Theory and Computation|March 26, 2013
pH-dependent dynamics of complex RNA macromoleculesGarrett B Goh, Jennifer L Knight, Charles L BrooksJournal of Chemical Theory and Computation|February 17, 2012
Constant pH Molecular Dynamics Simulations of Nucleic Acids in Explicit SolventGarrett B Goh, Jennifer L Knight, Charles L BrooksThe Journal of Physical Chemistry Letters|March 26, 2013
Towards Accurate Prediction of Protonation Equilibrium of Nucleic AcidsGarrett B Goh, Jennifer L Knight, Charles L BrooksJournal of Computational Chemistry|May 8, 2009
Lambda-dynamics free energy simulation methodsJennifer L Knight, Charles L BrooksJournal of Computational Chemistry|September 16, 2011
Applying efficient implicit nongeometric constraints in alchemical free energy simulationsJennifer L Knight, Charles L BrooksJournal of Computational Chemistry|July 8, 2011
Surveying implicit solvent models for estimating small molecule absolute hydration free energiesJennifer L Knight, Charles L BrooksJournal of Chemical Theory and Computation|January 5, 2010
Validating CHARMM parameters and exploring charge distribution rules in structure-based drug designJennifer L Knight, Charles L BrooksJournal of Chemical Theory and Computation|November 30, 2011
Multi-Site λ-dynamics for simulated Structure-Activity Relationship studiesJennifer L Knight, Charles L BrooksJournal of the American Chemical Society|May 21, 2014
Uncovering pH-dependent transient states of proteins with buried ionizable residuesGarrett B Goh, Elena N Laricheva, Charles L BrooksJournal of Chemical Theory and Computation|November 19, 2015
Biasing Potential Replica Exchange Multisite λ-Dynamics for Efficient Free Energy CalculationsKira A Armacost, Garrett B Goh, Charles L BrooksPageof 32