WHAT IF: A molecular modeling and drug design program

Journal of Molecular Graphics - Tập 8 Số 1 - Trang 52-56 - 1990
Gert Vriend1
1Department of Chemistry, University of Groningen, The Netherlands.

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Tài liệu tham khảo

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