Title	Publication Date	Language	Citations
Parst: A system of fortran routines for calculating molecular structure parameters from results of crystal structure analyses	1983/01/01	English	1,588
Non-globular domains in protein sequences: Automated segmentation using complexity measures	1994/09/01	English	325
Ligand-receptor interactions	1984/01/01	English	289
ABSORB: A computer program for correcting observed structure factors from absorption effects in crystal structure analysis	1987/01/01	English	210
Calculation of the crystal structures of hydrocarbons by molecular packing analysis	1977/01/01	English	160
A fast algorithm to evaluate the shortest distance between rods	1994/03/01	English	108
A general method for the determination of the stoichiometry of unknown species in multicomponent systems from physicochemical measurements	1987/01/01	English	99
Search for all self-avoiding paths for molecular graphs	1979/01/01	English	98
Parameterization of reaction mechanisms using orthonormal polynomials	1994/03/01	English	89
Rapid calculation of first and second derivatives of conformational energy with respect to dihedral angles for proteins general recurrent equations	1984/01/01	English	80
Versatile techniques for semi-empirical SCF-LCAO calculations including minimization of energy	1977/01/01	English	68
KINAL—a program package for kinetic analysis of reaction mechanisms	1990/01/01	English	57
Algorithms for finding the axis of a helix: Fast rotational and parametric least-squares methods	1996/09/01	English	55
Defining the axis of a helix	1989/01/01	English	54
Chemical sensitivity analysis theory with applications to molecular dynamics and kinetics	1981/01/01	English	51
Development of 3-dimensional molecular descriptors	1990/01/01	English	48
Aspects of FT-ICR software—III	1983/01/01	English	47
Lamé's functions and ellipsoidal harmonics for use in chemical physics	1982/01/01	English	44
A minicomputer-based system for process control, data acquisition, and data analysis in a diverse fast kinetics facility	1981/01/01	English	44
Landscapes: Complex optimization problems and biopolymer structures	1994/09/01	English	42
Application of Newton-Raphson optimization techniques in molecular mechanics calculations	1977/01/01	English	41
Molecular mechanics and the camseq processor	1977/01/01	English	40
New version of NAMOD (Nagoya Molecular Display) program	1989/01/01	English	39
A gear iterator	1987/01/01	English	39
DECFAM—A new computer oriented algorithm for the determination of equilibrium constants from potentionmetric and/or spectrophotometric measurements—I	1984/01/01	English	38
The microcomputer OASIS system for predicting the biological activity of chemical compounds	1990/01/01	English	38
PREOPT-W: A simulation program for off-line optimization of binary gradient separations in HPLC—I. Fundamentals and overview	1996/06/01	English	37
Computer-aided enumeration and generation of the kekulé structures in conjugated hydrocarbons	1982/01/01	English	37
Resolution of absorption spectra	1989/01/01	English	35
A new development of the oasis computer system for modeling molecular properties	1994/06/01	English	35