A theoretical study on hydration of alanine zwitterions

Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

Curt M. Breneman, Kenneth B. Wiberg · Journal of Computational Chemistry · 1990 · 4.8K citations

Natural Sciences, Chemistry, Physics +17

Optimization of equilibrium geometries and transition structures

H. Bernhard Schlegel · Journal of Computational Chemistry · 1982 · 3.9K citations

Natural Sciences, Chemistry, Computational Chemistry +14

Crystal structure of trp represser/operator complex at atomic resolution

Zbyszek Otwinowski, Richard W. Schevitz, R.-G. Zhang et al. · Nature · 1988 · 910 citations

Natural Sciences, Molecular Biology, Physics +14

On the Number of Water Molecules Necessary To Stabilize the Glycine Zwitterion

Jan H. Jensen, Mark S. Gordon · Journal of the American Chemical Society · 1995 · 427 citations

Natural Sciences, Biochemistry, Chemistry +8

Precision neutron diffraction structure determination of protein and nucleic acid components. I. Crystal and molecular structure of the amino acid L-alanine

M. S. Lehmann, T. F. Koetzle, Walter C. Hamilton · Journal of the American Chemical Society · 1972 · 419 citations

Life Sciences, Biochemistry, Chemistry +17