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      Molecular Design and Modeling: Concepts and Applications Part A: Proteins, Peptides, and Enzymes 

      [22] Diffusion-controlled enzymatic reactions

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          Brownian dynamics with hydrodynamic interactions

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            CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

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              The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin.

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                1991
                : 473-497
                10.1016/0076-6879(91)02024-4
                21c1e02c-8cdf-4460-b16f-3ee7bc8592d8
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