DOCKSCORE – Ranking Protein-protein Docked Poses

DOCKSCORE

:: DESCRIPTION

DockScore is a rigorous scoring scheme which can be used to rank the docked poses and identify the best docked pose out of many as proposed by docking algorithm employed.

::DEVELOPER

DockScore Team

:: SCREENSHOTS

n/a

:: REQUIREMENTS

  • Web browser

:: DOWNLOAD

 NO

:: MORE INFORMATION

Citation

DOCKSCORE: a webserver for ranking protein-protein docked poses.
Malhotra S, Mathew OK, Sowdhamini R.
BMC Bioinformatics. 2015 Apr 24;16(1):127.

CRDOCK – Dock Ligands in Macromolecules

CRDOCK

:: DESCRIPTION

CRDOCK is flexible tool to perform docking and virtual screening. The main goal of the program is the speed to be applicable in virtual screening.

::DEVELOPER

Unidad de Bioinformatica CBMSO

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux

:: DOWNLOAD

   CRDOCK

:: MORE INFORMATION

Citation

J Chem Inf Model. 2012 Aug 27;52(8):2300-9. doi: 10.1021/ci300194a. Epub 2012 Jul 19.
CRDOCK: an ultrafast multipurpose protein-ligand docking tool.
Cortés Cabrera á1, Klett J, Dos Santos HG, Perona A, Gil-Redondo R, Francis SM, Priego EM, Gago F, Morreale A.

DOCK 6.9 – Docking Molecules to each other

DOCK 6.9

:: DESCRIPTION

DOCK addresses the problem of “docking” molecules to each other. In general, “docking” is the identification of the low-energy binding modes of a small molecule, or ligand, within the active site of a macromolecule, or receptor, whose structure is known. A compound that interacts strongly with, or binds, a receptor associated with a disease may inhibit its function and thus act as a drug. Solving the docking problem computationally requires an accurate representation of the molecular energetics as well as an efficient algorithm to search the potential binding modes.

::DEVELOPER

DOCK Team

:: SCREENSHOTS

N/A

:: REQUIREMENTS

:: DOWNLOAD

DOCK

:: MORE INFORMATION

Lang, P.T., Brozell, S.R., Mukherjee, S., Pettersen, E.T., Meng, E.C., Thomas, V., Rizzo, R.C., Case, D.A., James, T.L., Kuntz, I.D.
DOCK 6: Combining Techniques to Model RNA-Small Molecule Complexes.
RNA 15:1219-1230, 2009.

NPDock – Nucleic acid-Protein Dock

NPDock

:: DESCRIPTION

NPDock is a web server for modeling of RNA-protein and DNA-protein complex structures.

::DEVELOPER

Bujnicki lab

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Web browser

:: DOWNLOAD

 NO

:: MORE INFORMATION

Citation

NPDock: a web server for protein-nucleic acid docking.
Tuszynska I, Magnus M, Jonak K, Dawson W, Bujnicki JM.
Nucleic Acids Res. 2015 May 14. pii: gkv493