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  1. Data from: Multiscale Estimation of Binding Kinetics Using Brownian Dynamics, Molecular Dynamics and Milestoning

    • The kinetic rate constants of four biochemically relevant ligand-receptor systems were estimated and described in a publication. This collection includes input files, output files, trajectories, and statistics associated with the study.
    • Creation Date: 2013-2015
  2. Data from: Multiscale Estimation of Binding Kinetics Using Brownian Dynamics, Molecular Dynamics and Milestoning

    • Collection: Data from: Multiscale Estimation of Binding Kinetics Using Brownian Dynamics, Molecular Dynamics and Milestoning
    • Name: Votapka, Lane W.; Amaro, Rommie E.
    • Date:
    • Topic: Molecular dynamics simulations; Troponin C; Markovian; Association rate constant; Rate constant; Biochemistry; Milestoning; Smoluchowski equation; Superoxide dismutase; Brownian dynamics simulations; Binding