Christopher I. Bayly
Open Source Science Project(US)
Publications by Year
Research Areas
Protein Structure and Dynamics, Computational Drug Discovery Methods, Spectroscopy and Quantum Chemical Studies, Machine Learning in Materials Science, Advanced Chemical Physics Studies
Most-Cited Works
- → A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules(1995)13,076 cited
- → A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model(1993)7,965 cited
- → Fast, efficient generation of high‐quality atomic charges. AM1‐BCC model: II. Parameterization and validation(2002)3,397 cited
- → Fast, efficient generation of high-quality atomic charges. AM1-BCC model: I. Method(2000)1,597 cited
- → Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation(1993)1,405 cited
- → Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins(1995)1,026 cited