Conformational effects on vibrational frequencies of cysteine and serine: an ab initio study

Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

Warren J. Hehre, R. Ditchfield, John A. Pople · The Journal of Chemical Physics · 1972 · 15.5K citations

Electron Density, Organic Molecules, Gaussian Functions +15

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson et al. · Journal of Computational Chemistry · 1983 · 14.9K citations

Engineering, Molecular Biology, Empirical Energy Function +21

A new force field for molecular mechanical simulation of nucleic acids and proteins

Scott J. Weiner, Peter A. Kollman, David A. Case et al. · Journal of the American Chemical Society · 1984 · 4.6K citations

Engineering, Altmetric Attention Score, Molecular Biology +21

An all atom force field for simulations of proteins and nucleic acids

Scott J. Weiner, Peter A. Kollman, Dzung T. Nguyen et al. · Journal of Computational Chemistry · 1986 · 3.4K citations

Dimethyl Ether, Engineering, Atom Force Field +17

Thioredoxin and Glutaredoxin Systems

Arne Holmgren · Journal of Biological Chemistry · 1989 · 1.8K citations · Full text

Microbial Toxin, Biochemistry, Glutaredoxin Systems +2