Monte Carlo molecular modeling

Andrew Martin martin at bsm.bioc.ucl.ac.uk
Mon Feb 10 04:49:21 EST 1997


Michel SEIGNEURET (michel at biophy.jussieu.fr) wrote:
: Dear collegues,
: While there are many well-known and flexible softwares that use molecular
: dynamics for the study of biomolecule conformation and interactions, I have
: been unable to find available programs that use Monte Carlo (and particularly)
: Metropolis) methods for the same purpose. Could somebody indicate me if such 
: a program exists.
: Thanks in advance.
: Michel

: M. Seigneuret
: Universite Paris 7
: Lab. de Biophysique Cellulaire

For macromolecules, take a look at Ruben Abagyan's ICM program. Some papers:

Abagyan,Totrov,Kuznetsov (1994),  J.Comp.Chem. 15, 488-506
Abagyan&Totrov, 1994, JMB, 235, 983-1002
Borchert et al.,(1994) Structure 1, 205-213
Totrov&Abagyan,(1996),JSB,116,138-143

Best wishes,

Andrew


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Dr. Andrew C.R. Martin,         University College London & SciTech Software
EMAIL: martin at biochem.ucl.ac.uk                Tel:(Work) +44(0)171 419 3890
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