Global minimum energy state

DEE + A Algorithm 8 self-bb proteins 65-73% of all dihedral angles correct Provides global minimum energy + states of system within specified energy range of global minimum... 

A related study was the exhaustive enumeration of the global minimum energy structure for all iP possible sequences of the HP model described in Section 10.3.1 [Li et al. 1996 Ihis showed that 4 75% of these sequences have a unique ground state (i.e. just on... 

Crystallographic data on over 1000 steroids or steroid related compounds provide information concerning preferred conformation, relative stabilities, and substituent influence on the interactive potential of steroid hormones. Conformational analysis of these data and comparison with ab-initio and empirical energy calculations indicate that the conformations observed in the solid state are at or near global minimum energy conformations and provide a useful basis for empirical models of structure-function relationships. 

A somewhat simpler, but by no means trivial, task is to find the lowest energy state of the model polypeptide. Due to the thermodynamic hypothesis [158], which postulates that native proteins are in the global minimum of the conformational energy, the minimum energy state of a properly designed protein... 

Characterize a potential energy surface for acertain niimberof atoms, i.e., detect all the local energy minima, the global minimum on the surface, and all the transition states between different minima. 

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