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Results for
""Molecular Docking Simulation""[mesh_terms]

2094 Results

Searching titles within these results

High-resolution protein-protein docking by global optimization: recent advances and future challenges.

Chaok Seok, Hasup Lee, Hahnbeom Park

Current opinion in structural biology 2016;35():24-31

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Abstract

Staphyloxanthin inhibitory potential of trans-anethole: A preliminary study.

Iwona Wojciechowska-Koszko, Barbara Dołęgowska, Wojciech Płaziński, Monika Sienkiewicz, Agata Pruss, Wirginia Kukula-Koch, Mateusz Kurzawski, Paweł Kwiatkowski

Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie 2023;158():114153

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Abstract

Insights into the Pharmacological Effects of Flavonoids: The Systematic Review of Computer Modeling.

Irina Selivanova, Anastasiya Zhevlakova, Ilya Nikitin, Roman Terekhov, Amir Taldaev

International journal of molecular sciences 2022;23(11):6023

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Nitazoxanide Inhibits the Bifunctional Enzyme GlG6PD::6PGL of : Biochemical and In Silico Characterization of a New Druggable Target.

Laura Morales-Luna, Abraham Vidal-Limón, Isabel Baeza-Ramírez, Carlos Wong-Baeza, Rosa Angélica Castillo-Rodríguez, Ernesto Calderón-Jaimes, Yadira Rufino-González, Beatriz Hernández-Ochoa, Roberto Arreguin-Espinosa, Víctor Martínez-Rosas, Abigail González-Valdez, Daniel Ortega-Cuellar, Verónica Pérez de la Cruz, Saúl Gómez-Manzo

International journal of molecular sciences 2023;24(14):11516

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Exploring phytochemical candidates against nephrolithiasis via similarity searching, network pharmacology, and docking studies.

Nancy Bhura, Jeena Gupta

Biochemical and biophysical research communications 2025;771():151975

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Metabolic Mechanism of Aryl Phosphorus Flame Retardants by Cytochromes P450: A Combined Experimental and Computational Study on Triphenyl Phosphate.

Meirong Zhao, Li Ji, Gerrit Schüürmann, Weiping Liu, Fangxing Yang, Lihong Chai, Shujing Ji, Quan Zhang

Environmental science & technology 2019;52(24):14411-14421

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Abstract

A metabolomics discrimination-based strategy for screening the antithrombin active markers of perilla seeds: A natural oil crop.

Rui Wang, Xingyue Jin, Suyi Liu, Xue Meng, Yanxu Chang, Xiumei Gao, Jin Li, Kunze Du

Food chemistry 2023;432():137183

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Abstract

Cyclocurcumin as Promising Bioactive Natural Compound: An Overview.

Guido Angelini, Carla Gasbarri

Molecules (Basel, Switzerland) 2024;29(7):

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Comprehensive insights into the impact of magnetic biochar on protein hydrolysis in sludge anaerobic digestion: Protein structures, microbial activities and syntrophic metabolisms.

Huizhi Mu, Yu Liu, Liangliang Wei, Qingliang Zhao, Likui Feng, Shufei He, Shijie You, Zhelu Gao, Tianyi Hu

Water research 2024;260():121963

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Abstract

Structural and dynamical effects of targeted mutations on μO-Conotoxin MfVIA: Molecular simulation studies.

Andrew Hung, Lisa M Barber, Lina Zhao

Journal of molecular graphics & modelling 2021;102():107777

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Unveiling major ethnopharmacological aspects of genus Diospyros in context to its chemical diversity: A comprehensive overview.

Rola M Labib, Fadia S Youssef, Dina M El-Kersh, Nada Fareed

Journal of food biochemistry 2023;46(12):e14413

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Abstract

Alphavirus protease inhibitors from natural sources: A homology modeling and molecular docking investigation.

William N Setzer, Ifedayo Victor Ogungbe, Jasmine T Collins, Kendall G Byler

Computational biology and chemistry 2017;64():163-184

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Curcumin in Cancer and Inflammation: An In-Depth Exploration of Molecular Interactions, Therapeutic Potentials, and the Role in Disease Management.

Dong-Oh Moon

International journal of molecular sciences 2024;25(5):

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An integrated approach reveals how lipo-chitooligosaccharides interact with the lysin motif receptor-like kinase MtLYR3.

Younes Bouchiba, Benoit Lefebvre, Jean-Jacques Bono, Sophie Barbe, Clare Gough, Jean-François Arrighi, Djamel Gully, Nico Nouwen, Jean Keller, Virginie Gasciolli, Mégane Gaston, Maude Maréchaux, Ludovic Cottret, Jérémy Esque

Protein science : a publication of the Protein Society 2022;31(6):e4327

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In silico evaluation of geroprotective phytochemicals as potential sirtuin 1 interactors.

Alessandro Medoro, Tassadaq Hussain Jafar, Sawan Ali, Truong Tan Trung, Vincenzo Sorrenti, Mariano Intrieri, Giovanni Scapagnini, Sergio Davinelli

Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie 2023;161():114425

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Results: 1 – 15 / 2094

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Results for ""Molecular Docking Simulation""[mesh_terms]

High-resolution protein-protein docking by global optimization: recent advances and future challenges.

Staphyloxanthin inhibitory potential of trans-anethole: A preliminary study.

Insights into the Pharmacological Effects of Flavonoids: The Systematic Review of Computer Modeling.

Nitazoxanide Inhibits the Bifunctional Enzyme GlG6PD::6PGL of : Biochemical and In Silico Characterization of a New Druggable Target.

Exploring phytochemical candidates against nephrolithiasis via similarity searching, network pharmacology, and docking studies.

Metabolic Mechanism of Aryl Phosphorus Flame Retardants by Cytochromes P450: A Combined Experimental and Computational Study on Triphenyl Phosphate.

A metabolomics discrimination-based strategy for screening the antithrombin active markers of perilla seeds: A natural oil crop.

Cyclocurcumin as Promising Bioactive Natural Compound: An Overview.

Comprehensive insights into the impact of magnetic biochar on protein hydrolysis in sludge anaerobic digestion: Protein structures, microbial activities and syntrophic metabolisms.

Structural and dynamical effects of targeted mutations on μO-Conotoxin MfVIA: Molecular simulation studies.

Unveiling major ethnopharmacological aspects of genus Diospyros in context to its chemical diversity: A comprehensive overview.

Alphavirus protease inhibitors from natural sources: A homology modeling and molecular docking investigation.

Curcumin in Cancer and Inflammation: An In-Depth Exploration of Molecular Interactions, Therapeutic Potentials, and the Role in Disease Management.

An integrated approach reveals how lipo-chitooligosaccharides interact with the lysin motif receptor-like kinase MtLYR3.

In silico evaluation of geroprotective phytochemicals as potential sirtuin 1 interactors.

Results for
""Molecular Docking Simulation""[mesh_terms]