SDOCK specifications

Information


Unique identifier OMICS_16982
Name SDOCK
Software type Package/Module
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Programming languages C
Computer skills Advanced
Stability Stable
Maintained No

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Publication for SDOCK

SDOCK in publications

 (3)
PMCID: 5845026
PMID: 29524037
DOI: 10.1186/s11671-018-2490-9

[…] of compound into a small groove of dna helix), and 2m2c (gcgcatgctacgcg - binding of compound with large and small grooves of dna helix). we applied the algorithm of systematical docking (sdock+), built-in the qxp package (this method demonstrates all possible conformations of the studied structures with the minimal value of root mean square deviation (rmsd)) []. we generated 300 […]

PMCID: 5315654
PMID: 28235359
DOI: 10.1186/s11671-017-1893-3

[…] of compound into a small groove of dna helix), and 2m2c (gcgcatgctacgcg—binding of compound with large and small grooves of dna helix). we applied the algorithm of systematical docking (sdock+), built-in the qxp package (this method demonstrates all possible conformations of the studied structures with the minimal value of root mean square deviation (rmsd)) []. to each compound (hl1 […]

PMCID: 3387161
PMID: 22768081
DOI: 10.1371/journal.pone.0039481

[…] of the receptor molecule, pp1, were processed with pdb2mm module of the qxp package. binding site was defined as pp1 residues within the sphere of 1.2 nm with center as cg atom of leu243. sdock routine of qxp docking engine was employed at 100 steps per ligand and 5 conformations per complex were saved., docking results were processed sequentially in two steps, a first step rough […]


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SDOCK institution(s)
Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable, Beijing, China; Stable Species, College of Chemistry and Molecular engineering, Peking University, Beijing, China; Center for Theoretical Biology, Peking University, Beijing, China

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