Construction of a 3D model of oligopeptidase B, a potential processing enzyme in prokaryotes

CLUSTAL W: improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice

Julie Thompson, Desmond G. Higgins, Toby J. Gibson · Nucleic Acids Research · 1994 · 64.9K citations · Full text

Life Sciences, Bioinformatics, Sequence Analysis +14

PROCHECK: a program to check the stereochemical quality of protein structures

Roman A. Laskowski, Malcolm W. MacArthur, D. S. Moss et al. · Journal of Applied Crystallography · 1993 · 24.6K citations

Life Sciences, Biochemistry, Bioinformatics +9

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen · Journal of Computational Physics · 1977 · 21.5K citations

Natural Sciences, Chemistry, Physics +11

<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

Comparative Protein Modelling by Satisfaction of Spatial Restraints

Andrej Šali, Tom L. Blundell · Journal of Molecular Biology · 1993 · 13.2K citations

Life Sciences, Biochemistry, Bioinformatics +11