Free R value: a novel statistical quantity for assessing the accuracy of crystal structures

<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

Natural Sciences, Chemistry, Biomolecular Modeling +13

Savitzky-Golay Smoothing Filters

William H. Press, Saul A. Teukolsky · Computers in Physics · 1990 · 11.8K citations · Full text

Computing, Aerospace Engineering, Optics +2

NMR with Proteins and Nucleic Acids

Kurt Wüthrich · Europhysics news · 1986 · 8K citations

Life Sciences, Biochemistry, Biophysics +12

<i>Principles of Nuclear Magnetic Resonance in One and Two Dimensions</i>

Richard R. Ernst, Geoffrey Bodenhausen, Alexander Wokaun et al. · Physics Today · 1989 · 4.2K citations

Natural Sciences, Chemistry, Physics +17

Crystallographic <i>R</i> Factor Refinement by Molecular Dynamics

Axel T. Brünger, John Kuriyan, Martin Karplus · Science · 1987 · 2K citations

Natural Sciences, Biophysics, Chemistry +17