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Dassault Systemes cdocker molecular docking algorithm
Cdocker Molecular Docking Algorithm, supplied by Dassault Systemes, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/cdocker+molecular+docking+algorithm/cdocker+molecular+docking+algorithm/10__1007_slash_978___1___4939___7404___7-4450-89-102
Average 90 stars, based on 1 article reviews
cdocker molecular docking algorithm - by Bioz Stars, 2026-11
90/100 stars

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Related Articles

Binding Assay:

Article Title: Computational Modeling of Drugs Against Alzheimer’s Disease
Article Snippet: .. However, using scoring function such as CDOCKER interaction energy to predict binding affinity could be misleading as it doesn’t consider all the ligand and receptor energy parameters Table 1 Ligand-receptor complex energy parameters for small molecules docked in the Aβ hexapeptide octamer steric-zipper model using the CDOCKER algorithm Energy (kcal/mol) Compd CDOCKER energya CDOCKER interaction energya Binding energyb MB 10.01 27.93 20.31 LeucoMB 18.71 27.72 14.21 Azure A 09.19 24.49 11.69 Azure B 07.66 24.82 15.50 aThe energy terms CDOCKER energy and CDOCKER interaction energy were calculated using the CDOCKER molecular docking algorithm in the Discovery Studio Client – Structure-Based Design software (Dassault Systemes Biovia Corp, France) bBinding energy was calculated using the Receptor-Ligand Interactions module based on the equation Ebinding 1⁄4 Energy of complex (Eligand-receptor) – Energy of ligand (Eligand) – Energy of receptor (Ereceptor) using the implicit solvent function GBSW Small Molecule Docking to Aβ 257 such as ligand energy and protein energy. ..

Software:

Article Title: Computational Modeling of Drugs Against Alzheimer’s Disease
Article Snippet: .. However, using scoring function such as CDOCKER interaction energy to predict binding affinity could be misleading as it doesn’t consider all the ligand and receptor energy parameters Table 1 Ligand-receptor complex energy parameters for small molecules docked in the Aβ hexapeptide octamer steric-zipper model using the CDOCKER algorithm Energy (kcal/mol) Compd CDOCKER energya CDOCKER interaction energya Binding energyb MB 10.01 27.93 20.31 LeucoMB 18.71 27.72 14.21 Azure A 09.19 24.49 11.69 Azure B 07.66 24.82 15.50 aThe energy terms CDOCKER energy and CDOCKER interaction energy were calculated using the CDOCKER molecular docking algorithm in the Discovery Studio Client – Structure-Based Design software (Dassault Systemes Biovia Corp, France) bBinding energy was calculated using the Receptor-Ligand Interactions module based on the equation Ebinding 1⁄4 Energy of complex (Eligand-receptor) – Energy of ligand (Eligand) – Energy of receptor (Ereceptor) using the implicit solvent function GBSW Small Molecule Docking to Aβ 257 such as ligand energy and protein energy. ..

Solvent:

Article Title: Computational Modeling of Drugs Against Alzheimer’s Disease
Article Snippet: .. However, using scoring function such as CDOCKER interaction energy to predict binding affinity could be misleading as it doesn’t consider all the ligand and receptor energy parameters Table 1 Ligand-receptor complex energy parameters for small molecules docked in the Aβ hexapeptide octamer steric-zipper model using the CDOCKER algorithm Energy (kcal/mol) Compd CDOCKER energya CDOCKER interaction energya Binding energyb MB 10.01 27.93 20.31 LeucoMB 18.71 27.72 14.21 Azure A 09.19 24.49 11.69 Azure B 07.66 24.82 15.50 aThe energy terms CDOCKER energy and CDOCKER interaction energy were calculated using the CDOCKER molecular docking algorithm in the Discovery Studio Client – Structure-Based Design software (Dassault Systemes Biovia Corp, France) bBinding energy was calculated using the Receptor-Ligand Interactions module based on the equation Ebinding 1⁄4 Energy of complex (Eligand-receptor) – Energy of ligand (Eligand) – Energy of receptor (Ereceptor) using the implicit solvent function GBSW Small Molecule Docking to Aβ 257 such as ligand energy and protein energy. ..



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