Tag : docking

Pharma / Biotech

Prediction of potential inhibitors for RNA-dependent RNA polymerase of SARS-CoV-2 using comprehensive drug repurposing and molecular docking approach.

Newsemia
Prediction of potential inhibitors for RNA-dependent RNA polymerase of SARS-CoV-2 using comprehensive drug repurposing and molecular docking approach. Int J Biol Macromol. 2020 Sep 17;:...
Gastroenterology

Mechanisms of indigo naturalis on treating ulcerative colitis explored by GEO gene chips combined with network pharmacology and molecular docking

Newsemia
Mechanisms of indigo naturalis on treating ulcerative colitis explored by GEO gene chips combined with network pharmacology and molecular docking Source link...
AI/ML

Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1.3 Billion Compounds.

Newsemia
Related Articles Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1.3 Billion Compounds. Mol Inform. 2020 08;39(8):e2000028 Authors: Ton AT, Gentile...
Pharma / Biotech

Identification of potential inhibitors against SARS-CoV-2 by targeting proteins responsible for envelope formation and virion assembly using docking based virtual screening, and pharmacokinetics approaches.

Newsemia
Identification of potential inhibitors against SARS-CoV-2 by targeting proteins responsible for envelope formation and virion assembly using docking based virtual screening, and pharmacokinetics approaches. Infect...
Latest News

Cruise Ships Still Have Difficulty In Docking Amid Coronavirus Pandemic

Newsemia
As the coronavirus pandemic shows no signs of stopping, cruise ships that are supposed to have docked months ago are still struggling to come onshore....
Latest News

Interaction of ZnO Nanostructures with Proteins: In Vitro Fibrillation/Antifibrillation Studies and in Silico Molecular Docking Simulations

Newsemia
Giannousi, K; Geromichalos, G; Kakolyri, D; Mourdikoudis, S; Dendrinou-Samara, C; (2020) Interaction of ZnO Nanostructures with Proteins: In Vitro Fibrillation/Antifibrillation Studies and in Silico Molecular...
Pharma / Biotech

Esterase activity and interaction of human hemoglobin with diclofenac sodium: A spectroscopic and molecular docking study.

Newsemia
Related Articles Esterase activity and interaction of human hemoglobin with diclofenac sodium: A spectroscopic and molecular docking study. J Mol Recognit. 2020 Mar 09;:e2841 Authors:...
AI/ML

Three Major Phosphoacceptor Sites in HIV-1 Capsid Protein Enhances its Structural Stability and Resistance against Inhibitor: Explication through Molecular Dynamics Simulation, Molecular Docking and DFT Analysis.

Newsemia
Related Articles Three Major Phosphoacceptor Sites in HIV-1 Capsid Protein Enhances its Structural Stability and Resistance against Inhibitor: Explication through Molecular Dynamics Simulation, Molecular Docking...
AI/ML

Energy-based Graph Convolutional Networks for Scoring Protein Docking Models.

Newsemia
Related Articles Energy-based Graph Convolutional Networks for Scoring Protein Docking Models. Proteins. 2020 Mar 06;: Authors: Cao Y, Shen Y Abstract Structural information about protein-protein...
Pharma / Biotech

Investigation on the effect of alkyl chain linked mono-thioureas as Jack bean urease inhibitors, SAR, pharmacokinetics ADMET parameters and molecular docking studies.

Newsemia
Related Articles Investigation on the effect of alkyl chain linked mono-thioureas as Jack bean urease inhibitors, SAR, pharmacokinetics ADMET parameters and molecular docking studies. Bioorg...
AI/ML

Virtual Screening Strategy Combined Bayesian Classification Model, Molecular docking for Acetyl-CoA Carboxylases Inhibitors.

Newsemia
Related Articles Virtual Screening Strategy Combined Bayesian Classification Model, Molecular docking for Acetyl-CoA Carboxylases Inhibitors. Curr Comput Aided Drug Des. 2018 Nov 08;: Authors: Zhou...
Pharma / Biotech

Biomolecular interactions of amphotericin B nanomicelles with serum albumins: A combined biophysical and molecular docking approach.

Newsemia
Related Articles Biomolecular interactions of amphotericin B nanomicelles with serum albumins: A combined biophysical and molecular docking approach. Spectrochim Acta A Mol Biomol Spectrosc. 2018...

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