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- Molecular dynamics input files, trajectories and analysis scripts used in the paper "Electrostatic interactions as mediators in the allosteric network of PKA RIalpha".
- Creation Date: 2015-09-15,
Data from: Allostery through the Computational Microscope: cAMP Activation of a Canonical Signalling Domain
- This collection contains the molecular dynamics trajectories scripts and models used in the paper “Allostery through the computational microscope: cAMP activation of a canonical signalling domain”.
- Creation Date: 2014-08-24
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