MOLECULAR MODELING PROGRAM

 

 
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ZMM implements various methods for conformational search:

  • Energy minimization in generalized coordinates (Zhorov, 1981, 1983)

  • Nested rotations with building multidimensional grids

  • Monte Carlo minimization (Li & Scheraga, 1987)

  • Monte Carlo minimization (MCM) in the space of scaled collective variables (Noguti & Go, 1985; Maurer et al., 1999)

  • Biased MCM (Abagyan & Totrov, 1994)

  •  Nested MCM protocol (unpublished)

  • Stochastically restrainable MCM (unpublished)

  • Computing MC-minimized energy profile of a ligand in a protein (Zhorov and Lin, 2000)

  • Computing multidimensional MC-minimized energy map of a ligand in a protein (unpublished)

ZMM includes well-known force fields:

  • AMBER

  • ECEPP/2

  • MM2

  • V.G. Dashevskii (1970)

  •  Zhurkin et al. (1983)
     

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Copyright 2002, ZMM Software Inc., All rights reserved