HCovDock Server
[Huang Lab]   [HCovDock]   [Help]   [Output example]  
Receptor Molecular [help]
  • Upload your pdb file [example]
Ligand Molecular [help]
  • Upload your pdb file [example]
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References:
  1. Wu Qilong, Huang SY. HCovDock: An efficient docking method for modeling covalent protein-ligand interactions. submitted.
  2. Ewing TJ, Makino S, Skillman AG, Kuntz ID. DOCK 4.0: search strategies for automated molecular docking of flexible molecule databases. J Comput Aided Mol Des. 2001;15(5):411-28.
  3. Friedrich NO, Flachsenberg F, Meyder A, Sommer K, Kirchmair J, Rarey M. Conformator: A Novel Method for the Generation of Conformer Ensembles. J Chem Inf Model. 2019;59(2):731-742.
  4. O’Boyle NM, Banck M, James CA, Morley C, Vandermeersch T, Hutchison GR. Open Babel: An open chemical toolbox. J Cheminform. 2011;3:33.
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