Superposition of three-dimensional objects: A fast and numerically stable algorithm for the calculation of the matrix of optimal rotation

The protein data bank: A computer-based archival file for macromolecular structures

F. C. Bernstein, Thomas F. Koetzle, G. J. B. Williams et al. · Journal of Molecular Biology · 1977 · 8.6K citations

Life Sciences, Biochemistry, Bioinformatics +14

A solution for the best rotation to relate two sets of vectors

Wolfgang Kabsch · Acta Crystallographica Section A · 1976 · 3.2K citations

Natural Sciences, Computer Science, Algorithms +8

Calculation of conformational ensembles from potentials of mena force

Manfred J. Sippl · Journal of Molecular Biology · 1990 · 1.1K citations

Natural Sciences, Biophysics, Physics +14

Rapid comparison of protein structures

A. McLachlan · Acta Crystallographica Section A · 1982 · 395 citations

Life Sciences, Biochemistry, Computational Chemistry +10

A 3D building blocks approach to analyzing and predicting structure of proteins

Ron Unger, David Harel, Scot Wherland et al. · Proteins Structure Function and Bioinformatics · 1989 · 257 citations

Life Sciences, Biochemistry, Bioinformatics +9