Christopher I. Bayly

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly et al. · Journal of the American Chemical Society · 1995 · 13.1K citations

Natural Sciences, Biochemistry, Biophysics +17

A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

Christopher I. Bayly, Piotr Cieplak, Wendy D. Cornell et al. · The Journal of Physical Chemistry · 1993 · 8.1K citations

Natural Sciences, Chemistry, Physics +11

Fast, efficient generation of high‐quality atomic charges. AM1‐BCC model: II. Parameterization and validation

Araz Jakalian, D. B. Jack, Christopher I. Bayly · Journal of Computational Chemistry · 2002 · 3.5K citations

Natural Sciences, Chemistry, Physics +15

Fast, efficient generation of high-quality atomic charges. AM1-BCC model: I. Method

Araz Jakalian, Bruce L. Bush, D. B. Jack et al. · Journal of Computational Chemistry · 2000 · 1.6K citations

Natural Sciences, Chemistry, Computational Chemistry +10

Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation

Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly et al. · Journal of the American Chemical Society · 1993 · 1.4K citations

Natural Sciences, Chemistry, Physics +14