Below are the most recent publications written about "Molecular Docking Simulation" by people in Profiles.
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Mondal S, Chen Y, Lockbaum GJ, Sen S, Chaudhuri S, Reyes AC, Lee JM, Kaur AN, Sultana N, Cameron MD, Shaffer SA, Schiffer CA, Fitzgerald KA, Thompson PR. Dual Inhibitors of Main Protease (MPro) and Cathepsin L as Potent Antivirals against SARS-CoV2. J Am Chem Soc. 2022 11 23; 144(46):21035-21045.
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Shaqra AM, Zvornicanin SN, Huang QYJ, Lockbaum GJ, Knapp M, Tandeske L, Bakan DT, Flynn J, Bolon DNA, Moquin S, Dovala D, Kurt Yilmaz N, Schiffer CA. Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun. 2022 06 21; 13(1):3556.
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Shi T, Wang X, Li M, Xiong Z, McClements DJ, Bao Y, Song T, Li J, Yuan L, Jin W, Gao R. Mechanism of low-salt surimi gelation induced by microwave heating combined with l-arginine and transglutaminase: On the basis of molecular docking between l-arginine and myosin heavy chain. Food Chem. 2022 Oct 15; 391:133184.
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Banjare L, Singh Y, Verma SK, Singh AK, Kumar P, Kumar S, Jain AK, Thareja S. Multifaceted 3D-QSAR analysis for the identification of pharmacophoric features of biphenyl analogues as aromatase inhibitors. J Biomol Struct Dyn. 2023 Mar; 41(4):1322-1341.
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Dai T, McClements DJ, Hu T, Chen J, He X, Liu C, Sheng J, Sun J. Improving foam performance using colloidal protein-polyphenol complexes: Lactoferrin and tannic acid. Food Chem. 2022 May 30; 377:131950.
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Goel H, Kalra V, Verma SK, Dubey SK, Tiwary AK. Convolutions in the rendition of nose to brain therapeutics from bench to bedside: Feats & fallacies. J Control Release. 2022 01; 341:782-811.
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Verma SK, Verma R, Kumar KSS, Banjare L, Shaik AB, Bhandare RR, Rakesh KP, Rangappa KS. A key review on oxadiazole analogs as potential methicillin-resistant Staphylococcus aureus (MRSA) activity: Structure-activity relationship studies. Eur J Med Chem. 2021 Jul 05; 219:113442.
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Mandavi S, Verma SK, Banjare L, Dubey A, Bhatt R, Thareja S, Jain AK. A Comprehension into Target Binding and Spatial Fingerprints of Noscapinoid Analogues as Inhibitors of Tubulin. Med Chem. 2021; 17(6):611-622.
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Mishra K, Verma SK, Ratre P, Banjare L, Jain A, Thareja S, Jain AK. In Silico Molecular Interaction Studies of Chitosan Polymer with Aromatase Inhibitor: Leads to Letrozole Nanoparticles for the Treatment of Breast Cancer. Anticancer Agents Med Chem. 2021; 21(9):1191-1199.
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Ibrahim M, Latif A, Ali A, Ribeiro AI, Farooq U, Ullah F, Khan A, Al-Harrasi A, Ahmad M, Ali M. Macrocyclic sulfone derivatives: Synthesis, characterization, in vitro biological evaluation and molecular docking. Drug Dev Res. 2021 06; 82(4):562-574.