Application of the Multimolecule and Multiconformational RESP Methodology to Biopolymers: Charge Derication for DNA, RNA, and Proteins. - Piotr Cieplak; Wendy D. Cornell; Christopher I. Bayly; Peter A. Kollman (J. Comput. Chem., 1995)

Consensus bond-charge increments fitted to electrostatic potential or field of many compounds: Application to MMFF94 training set. - Bruce L. Bush; Christopher I. Bayly; Thomas A. Halgren (J. Comput. Chem., 1999)

Fast, efficient generation of high-quality atomic charges. AM1-BCC model: I. Method. - Araz Jakalian; Bruce L. Bush; David B. Jack; Christopher I. Bayly (J. Comput. Chem., 2000)

Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation. - Araz Jakalian; David B. Jack; Christopher I. Bayly (J. Comput. Chem., 2002)

GLARE: A New Approach for Filtering Large Reagent Lists in Combinatorial Library Design Using Product Properties. - Jean-François Truchon; Christopher I. Bayly (J. Chem. Inf. Model., 2006)

Comparison of Topological, Shape, and Docking Methods in Virtual Screening. - Georgia B. McGaughey; Robert P. Sheridan; Christopher I. Bayly; J. Christopher Culberson; Constantine Kreatsoulas; Stacey Lindsley; Vladimir N. Maiorov; Jean-François Truchon; Wendy D. Cornell (J. Chem. Inf. Model., 2007)

Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities, 1. Exploring the Parameter Space. - Marwen Naïm; Sathesh Bhat; Kathryn N. Rankin; Sheldon Dennis; Shafinaz F. Chowdhury; Imran Siddiqi; Piotr Drabik; Traian Sulea; Christopher I. Bayly; Araz Jakalian; Enrico O. Purisima (J. Chem. Inf. Model., 2007)

Evaluating Virtual Screening Methods: Good and Bad Metrics for the "Early Recognition" Problem. - Jean-François Truchon; Christopher I. Bayly (J. Chem. Inf. Model., 2007)

Using electronic polarization from the internal continuum (EPIC) for intermolecular interactions. - Jean-François Truchon; Anthony Nicholls; J. Andrew Grant; Radu I. Iftimie; Benoît Roux; Christopher I. Bayly (J. Comput. Chem., 2010)

Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TK. - Benjamin A. Ellingson; Matthew T. Geballe; Stanislaw Wlodek; Christopher I. Bayly; A. Geoffrey Skillman; Anthony Nicholls (J. Comput. Aided Mol. Des., 2014)

Shaping suvorexant: application of experimental and theoretical methods for driving synthetic designs. - Georgia B. McGaughey; Christopher I. Bayly; Christopher D. Cox; John D. Schreier; Michael J. Breslin; Michael Bogusky; Steve Pitzenberger; Richard Ball; Paul J. Coleman (J. Comput. Aided Mol. Des., 2014)

Assessing the Conformational Equilibrium of Carboxylic Acid via Quantum Mechanical and Molecular Dynamics Studies on Acetic Acid. - Victoria T. Lim; Christopher I. Bayly; Laszlo Fusti-Molnar; David L. Mobley (J. Chem. Inf. Model., 2019)