Christopher I. Bayly
According to our database1,
Christopher I. Bayly
authored at least 12 papers
between 1995 and 2019.
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Bibliography
2019
Assessing the Conformational Equilibrium of Carboxylic Acid via Quantum Mechanical and Molecular Dynamics Studies on Acetic Acid.
J. Chem. Inf. Model., 2019
2014
Shaping suvorexant: application of experimental and theoretical methods for driving synthetic designs.
J. Comput. Aided Mol. Des., 2014
Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TK.
J. Comput. Aided Mol. Des., 2014
2010
Using electronic polarization from the internal continuum (EPIC) for intermolecular interactions.
J. Comput. Chem., 2010
2007
Evaluating Virtual Screening Methods: Good and Bad Metrics for the "Early Recognition" Problem.
J. Chem. Inf. Model., 2007
Solvated Interaction Energy (SIE) for Scoring Protein-Ligand Binding Affinities, 1. Exploring the Parameter Space.
J. Chem. Inf. Model., 2007
J. Chem. Inf. Model., 2007
2006
GLARE: A New Approach for Filtering Large Reagent Lists in Combinatorial Library Design Using Product Properties.
J. Chem. Inf. Model., 2006
2002
Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation.
J. Comput. Chem., 2002
2000
J. Comput. Chem., 2000
1999
Consensus bond-charge increments fitted to electrostatic potential or field of many compounds: Application to MMFF94 training set.
J. Comput. Chem., 1999
1995
Application of the Multimolecule and Multiconformational RESP Methodology to Biopolymers: Charge Derication for DNA, RNA, and Proteins.
J. Comput. Chem., 1995