Christopher I. Bayly

Researcher Next ID · RN-003729

Researcher · Biochemistry, Genetics and Molecular Biology

Stockholm, Sweden

Not currently recruitingFunding unknown

Research interests

Biochemistry, Genetics and Molecular Biology

Computer Science

Materials Science

Physics and Astronomy

Protein Structure and Dynamics

Computational Drug Discovery Methods

Machine Learning in Materials Science

Spectroscopy and Quantum Chemical Studies

Advanced Chemical Physics Studies

Fast, efficient generation of high‐quality atomic charges. AM1‐BCC model: II. Parameterization and validation
Journal of Computational Chemistry · 2002 · https://doi.org/10.1002/jcc.10128
Fast, efficient generation of high-quality atomic charges. AM1-BCC model: I. Method
Journal of Computational Chemistry · 2000 · https://doi.org/10.1002/(sici)1096-987x(20000130)21:2<132::aid-jcc5>3.0.co;2-p
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
Journal of the American Chemical Society · 1995 · https://doi.org/10.1021/ja00124a002
A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model
The Journal of Physical Chemistry · 1993 · https://doi.org/10.1021/j100142a004
Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation
Journal of the American Chemical Society · 1993 · https://doi.org/10.1021/ja00074a030

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