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Showing 1 to 1 of 1 for “"Conformational potential energy surface"”.
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Random search conformational analysis of piperazine and piperadine analogs of GBR12909 : implicit aqueous solvation effects
… work was to study the effect of solvent on the conformational potential energy surface (PES) of GBR12909 analogs. Local minima on the PES's were found by the Random Search algorithm using the Sybyl molecular modeling package from Tripos, Inc., and an implicit solvent model. Two …