WHAT IF: A molecular modeling and drug design program

GROMOS is written by W.F. van Gunsteren, Dept. of Physical Chemistry, University of Groningen, The Netherlands Vriend G. Parameter correlation rows, a fast way to answer molecular questions. Manuscript in preparation PRE-GROMOS is written by Johan Postma at the EMBL in Heidelberg, FRG MODEL is an update version of C. Still's MODEL program, written by K. Steliou, University of Montreal, Canada PIR/PSQ is public domain software produced by the NBRF, Georgetown University Medical Center, 3900 Reservoir Road, N.W. Washington, D.C. (PIR is a re Bernstein, 1977, J. Mol. Biol., 112, 535, 10.1016/S0022-2836(77)80200-3 Cherfils, 1988, J. Mol. Graphics, 3, 155, 10.1016/0263-7855(88)80068-7 Eisenberg, 1984, Proc. Nat'l. Acad. Sci., 81, 140, 10.1073/pnas.81.1.140 Jones, 1978, J. Appl. Crystallogr., 11, 268, 10.1107/S0021889878013308 Jones, 1986, EMBO J., 5, 819, 10.1002/j.1460-2075.1986.tb04287.x Argos P., personal communication. Remmington, 1978, Proc. Nat'l. Acad. Sci., 75, 2180, 10.1073/pnas.75.5.2180 Karplus, 1987, J. Mol. Biol., 195, 710, 10.1016/0022-2836(87)90191-4 Schreuder, 1988, J. Mol. Biol., 199, 637, 10.1016/0022-2836(88)90307-5 Rossmann, 1985, Nature, 317, 145, 10.1038/317145a0 The BONES electron density skeletonization program is written by T.A. Jones Dodson, 1976, Acta Crystallogr., A32, 311, 10.1107/S0567739476000685 The MUTATE program is written by R.J. Read, University of Edmonton, Canada The program to determine energy terms per atom is a modification of GROMOS, made by J.P.M. Postma at the EMBL, Heidelberg, FRG Huckriede D., Vriend G. and Hol W.G.J., manuscript in preparation The very fast surface calculation program is written by R. Voorinthold, Dept. Comp. Sci., University of Gronngen, The Netherlands