A self consistent mean field approach to simultaneous gap closure and side-chain positioning in homology modelling

1995 ◽  
Vol 2 (2) ◽  
pp. 163-170 ◽  
Author(s):  
Patrice Koehl ◽  
Marc Delarue
1990 ◽  
Vol 42 (13) ◽  
pp. 7894-7897 ◽  
Author(s):  
Lizeng Zhang ◽  
Michael Ma ◽  
Fu Chun Zhang

1990 ◽  
Vol 04 (09) ◽  
pp. 1589-1609
Author(s):  
M.G. RASETTI ◽  
M.L. RASTELLO

We study the structure of the phase space for a system of N molecules of ellipsoidal symmetry, as a function of concentration and temperature. A classical lattice gas approximation is considered and a single molecule is described by a rigid ellipsoidal core with weak attractive tails along the long axis. The method adopted is a second-order mean-field approach – designed in such a way as to keep into account the fluctuations from equilibrium of the order parameters up to the fourth order – combined with a cumulant-cluster expansion, and improved by keeping track of the short-range correlations. Preliminary numerical calculations show the existence, in the case of zero attractive tail, of a second order phase transition.


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