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Accelrys libdock module
Libdock Module, supplied by Accelrys, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/libdock/libdock/pm42251046-471-7-15
Average 86 stars, based on 1 article reviews
libdock module - by Bioz Stars, 2026-10
86/100 stars

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Related Articles

Biomarker Discovery:

Article Title: Blocking ASIP to Protect MC1R Signaling and Mitigate Melanoma Risk: An In Silico Study.
Article Snippet: .. To strengthen confidence in ligand ranking and reduce scoring bias, the top-scoring ligands were further evaluated using LibDock from BIOVIA (BIOVIA Discovery Studio v24.1.0.321712) and AutoDock Vina (v1.1.2, Windows) as independent validation methods. .. Based on the combined binding scores and binding free energy/affinity, five ligands—ZINC14539068, ZINC24890597, ZINC12212035, ZINC64926416, and ZINC91321775—were selected for detailed analysis and pharmacophore mapping (Table 3). https://doi.org/10.3390/ph19010114 Fit value, pharmacophore mapping fitness score; −CDOCK score, negative CDOCKER interaction energy—higher positive values indicate stronger predicted binding; LibDock score, hotspot-guided docking score; AutoDock binding affinity (∆G), predicted binding free energy (kcal/mol); pre-MDS MM-GBSA (dG), free energy estimated prior to molecular dynamic simulation (kcal/mol).

Article Title: Blocking ASIP to Protect MC1R Signaling and Mitigate Melanoma Risk: An In Silico Study
Article Snippet: .. To strengthen confidence in ligand ranking and reduce scoring bias, the top-scoring ligands were further evaluated using LibDock from BIOVIA (BIOVIA Discovery Studio v24.1.0.321712) and AutoDock Vina (v1.1.2, Windows) as independent validation methods. ..

other:

Article Title: Cytotoxic, anti-inflammatory, antioxidant, and anti-glyoxalase-I evaluation of chelating substances: In silico and in vitro study
Article Snippet: The compounds that demonstrated efficacy against our target were analyzed using the LibDock and CDocker algorithms in Biovia ® Discovery Studio 2022.

Article Title: Cytotoxic, anti-inflammatory, antioxidant, and anti-glyoxalase-I evaluation of chelating substances: In silico and in vitro study.
Article Snippet: The compounds that demonstrated efficacy against our target were analyzed using the LibDock and CDocker algorithms in Biovia® Discovery Studio 2022.

Article Title: Current Computational Approaches for the Discovery of Novel Anticancer Agents Targeting VEGFR and SIRT Signaling Pathways.
Article Snippet: Docking procedures were based on the application of both Libdock and CDOCKER modules within BIOVIA Discovery Studio 2019 (Dassault Systèmes BIOVIA, San Diego, CA, USA).

Article Title: Current Computational Approaches for the Discovery of Novel Anticancer Agents Targeting VEGFR and SIRT Signaling Pathways
Article Snippet: Docking procedures were based on the application of both Libdock and CDOCKER modules within BIOVIA Discovery Studio 2019 (Dassault Systèmes BIOVIA, San Diego, CA, USA).

Software:

Article Title: AI-driven identification of a selective dual function inhibitor blocking HK2 activity and HK2-VDAC1 interaction displaying enhanced anticancer efficacy under hypoxia.
Article Snippet: Selective inhibition of hexokinase 2 (HK2) represents a promising therapeutic strategy due to the pivotal role of HK2 in the Warburg effect, enhancement of glycolysis and anti-apoptosis via HK2-Voltage-Dependent Anion Channel 1 (VDAC1) protein-protein interaction.. Moreover, HK2 initiates glycolysis to generate lactate, hence this central enzyme can be pharmacologically targeted to enhance therapy outcomes.. Currently, no HK2 inhibitors (HK2is) exist in the clinic.

Article Title: Unraveling novel transposable elements (TEs)-driven gene dysregulation in non-small cell lung cancer (NSCLC) by integrated transcriptomic and TEs analysis.
Article Snippet: Transposable Elements (TEs) represent a class of mobile genomic sequences, which may seriously disrupt gene regulation and can contribute to tumorigenesis.. Yet, their role in NSCLC has remained unexplored to a great degree.. Therefore, an integrated transcriptomic and Transposable Element (TE) analysis was performed to investigate TE-driven gene dysregulation in NSCLC.

Drug discovery:

Article Title: AI-driven identification of a selective dual function inhibitor blocking HK2 activity and HK2-VDAC1 interaction displaying enhanced anticancer efficacy under hypoxia.
Article Snippet: Selective inhibition of hexokinase 2 (HK2) represents a promising therapeutic strategy due to the pivotal role of HK2 in the Warburg effect, enhancement of glycolysis and anti-apoptosis via HK2-Voltage-Dependent Anion Channel 1 (VDAC1) protein-protein interaction.. Moreover, HK2 initiates glycolysis to generate lactate, hence this central enzyme can be pharmacologically targeted to enhance therapy outcomes.. Currently, no HK2 inhibitors (HK2is) exist in the clinic.



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