Zoekresultaten - "molecular dynamics"

The effect of Pd(II) and Pt(II) coordination on the affinity of avibactam to OXA-48 β-lactamase door Jakub Brzeski, Paulina Nowicka, Sergey A. Samsonov

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Computational identification of uncharacterized cruzain binding sites. door Jacob D Durrant, Henrik Keränen, Benjamin A Wilson, J Andrew McCammon

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Inhibiting <i>Leishmania donovani</i> Sterol Methyltransferase to Identify Lead Compounds Using Molecular Modelling door Patrick O. Sakyi, Samuel K. Kwofie, Julius K. Tuekpe, Theresa M. Gwira, Emmanuel Broni, Whelton A. Miller, Michael D. Wilson, Richard K. Amewu

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The Mechanism by Which Cyperus rotundus Ameliorates Osteoarthritis: A Work Based on Network Pharmacology door Du MD, He KY, Fan SQ, Li JY, Liu JF, Lei ZQ, Qin G

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Anti-cancer potency by induced apoptosis by molecular docking P53, caspase, cyclin D1, cytotoxicity analysis and phagocytosis activity of trisindoline 1,3 and 4 door Awik Puji Dyah Nurhayati, Andis Rihandoko, Arif Fadlan, Shabrina Syifa Ghaissani, Nurul Jadid, Edwin Setiawan

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Uncovering the Potential Mechanisms of Coptis chinensis Franch. for Serious Mental Illness by Network Pharmacology and Pharmacology-Based Analysis door Qi Y, Ni S, Heng X, Qu S, Ge P, Zhao X, Yao Z, Guo R, Yang N, Zhang Q, Zhu H

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PERANCANGAN VAKSIN BERBASIS EPITOP VIRUS MONKEYPOXSECARA IN SILICO door Dwi Nur Triharsiwi, -

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Boron Nitride Nanostructures door Mikhael Bechelany (Ed.)

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Novel thiazolidinone-containing compounds, without the well-known sulphonamide zinc-binding group acting as human carbonic anhydrase IX inhibitors door Özlen Güzel-Akdemir, Andrea Angeli, Kübra Demir, Claudiu T. Supuran, Atilla Akdemir

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An Evaluation of the Potential of NMR Spectroscopy and Computational Modelling Methods to Inform Biopharmaceutical Formulations door Akash Pandya, Mark J. Howard, Mire Zloh, Paul A. Dalby

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The design and virtual screening of thiourea derivatives as a Sirtuin-1 inhibitor door Ruswanto Ruswanto, Richa Mardianingrum, Ade Dwi Septian, Arry Yanuar

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Simulation and Machine Learning Methods for Ion-Channel Structure Determination, Mechanistic Studies and Drug Design door Zhengdan Zhu, Zhengdan Zhu, Zhenfeng Deng, Zhenfeng Deng, Qinrui Wang, Yuhang Wang, Duo Zhang, Duo Zhang, Ruihan Xu, Ruihan Xu, Lvjun Guo, Han Wen

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Inhibition of acetylcholinesterase and butyrylcholinesterase with uracil derivatives: kinetic and computational studies door Huseyin Cavdar, Murat Senturk, Murat Guney, Serdar Durdagi, Gulru Kayik, Claudiu T. Supuran, Deniz Ekinci

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Sulfur-Containing Monoterpenoids as Potential Antithrombotic Drugs: Research in the Molecular Mechanism of Coagulation Activity Using Pinanyl Sulfoxide as an Example door Liliya E. Nikitina, Liliya E. Nikitina, Sergei V. Kiselev, Valeriya A. Startseva, Andrei V. Bodrov, Zulfiya R. Azizova, Olga T. Shipina, Inna V. Fedyunina, Sergei V. Boichuk, Olga A. Lodochnikova, Vladimir V. Klochkov, Leisan F. Galiullina, Aliya V. Khaliullina, Aliya V. Khaliullina

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Phenotypic Discovery of Thiocarbohydrazone with Anticancer Properties and Catalytic Inhibition of Human DNA Topoisomerase IIα door Ilija N. Cvijetić, Barbara Herlah, Aleksandar Marinković, Andrej Perdih, Snežana K. Bjelogrlić

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New perspectives on the computational characterization of the kinetics of binding-unbinding in drug design: implications for novel therapies door Liliana M. Moreno-Vargas, Diego Prada-Gracia

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Screening Analogs of β-OG Pocket Binder as Fusion Inhibitor of Dengue Virus 2 door Usman S.F. Tambunan, Hilyatuz Zahroh, Arli A. Parikesit, Syarifuddin Idrus, Djati Kerami

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Artificial intelligence assisted with designing metal‐organic frameworks (MOFs) door Navid Rabiee

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6-Octadecenoic and Oleic Acid in Liquid Smoke Rice Husk Showed COVID-19 Inhibitor Properties door Ira Arundina, Neni Frimayanti, Meircurius Dwi Condro Surboyo, Theresia Indah Budhy, Benni Iskandar

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Recent progress in the molecular imaging of therapeutic monoclonal antibodies door Kaifeng He, Su Zeng, Linghui Qian

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