protein-ligand-interfaces

There are 4 repositories under protein-ligand-interfaces topic.

  • rxdock/rxdock

    RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on GitLab, this is a read-only source code mirror]

    Language:C++682019

  • rasbt/Hbind

    Calculates hydrogen-bond interaction tables for protein-small molecule complexes, based on protein PDB and protonated ligand MOL2 structure input. Raschka et al. (2018) J. Computer-Aided Molec. Design

    Language:C265414

  • NRGlab/FlexAID

    Flexible Artificial Intelligence Docking

    Language:C164011

  • CoryKornowicz/ProbeEnergy

    Locates, scores, and predicts potential areas of ligand binding using a soft-core repulsion force over a grid.

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