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Journals and Conferences
A general methodology for the study of chemical catalysis is presented and demonstrated in a study of Friedel–Crafts-type alkylation reactions that are constrained to collinear configurations. Ab… (More)
We present an overview of new procedures for including quantum mechanical effects in enzyme kinetics. Quantum effects are included in three ways: (1) The electronic structure of the atoms in the… (More)
SUMMARY MIPSIM is a computational package designed to analyse and compare 3D distributions of molecular interaction potentials (MIP) of series of biomolecules.