Below are the most recent publications written about "Molecular Docking Simulation" by people in Profiles.
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Heslop KA, Burger P, Kappler C, Solanki AK, Gooz M, Peterson YK, Mills C, Benton T, Duncan SA, Woster PM, Maldonado EN. Small molecules targeting the NADH-binding pocket of VDAC modulate mitochondrial metabolism in hepatocarcinoma cells. Biomed Pharmacother. 2022 Jun; 150:112928.
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Zhang L, Cheng C, Li J, Wang L, Chumanevich AA, Porter DC, Mindich A, Gorbunova S, Roninson IB, Chen M, McInnes C. A Selective and Orally Bioavailable Quinoline-6-Carbonitrile-Based Inhibitor of CDK8/19 Mediator Kinase with Tumor-Enriched Pharmacokinetics. J Med Chem. 2022 02 24; 65(4):3420-3433.
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Mayer AMS, Hall ML, Lach J, Clifford J, Chandrasena K, Canton C, Kontoyianni M, Choo YM, Karan D, Hamann MT. RSK1 vs. RSK2 Inhibitory Activity of the Marine ß-Carboline Alkaloid Manzamine A: A Biochemical, Cervical Cancer Protein Expression, and Computational Study. Mar Drugs. 2021 Sep 07; 19(9).
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Killoran MP, Levin S, Boursier ME, Zimmerman K, Hurst R, Hall MP, Machleidt T, Kirkland TA, Friedman Ohana R. An Integrated Approach toward NanoBRET Tracers for Analysis of GPCR Ligand Engagement. Molecules. 2021 May 12; 26(10).
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Zhu H, Klement JD, Lu C, Redd PS, Yang D, Smith AD, Poschel DB, Zou J, Liu D, Wang PG, Ostrov D, Coant N, Hannun YA, Colby AH, Grinstaff MW, Liu K. Asah2 Represses the p53-Hmox1 Axis to Protect Myeloid-Derived Suppressor Cells from Ferroptosis. J Immunol. 2021 03 15; 206(6):1395-1404.
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Larue RC, Xing E, Kenney AD, Zhang Y, Tuazon JA, Li J, Yount JS, Li PK, Sharma A. Rationally Designed ACE2-Derived Peptides Inhibit SARS-CoV-2. Bioconjug Chem. 2021 01 20; 32(1):215-223.
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Singh S, Florez H. Bioinformatic study to discover natural molecules with activity against COVID-19. F1000Res. 2020; 9:1203.
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Singh S, Florez H. Coronavirus disease 2019 drug discovery through molecular docking. F1000Res. 2020; 9:502.
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Baxter M, Chapagai D, Craig S, Hurtado C, Varghese J, Nurmemmedov E, Wyatt MD, McInnes C. Peptidomimetic Polo-Box-Targeted Inhibitors that Engage PLK1 in Tumor Cells and Are Selective against the PLK3 Tumor Suppressor. ChemMedChem. 2020 06 17; 15(12):1058-1066.
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Callahan BN, Kammala AK, Syed M, Yang C, Occhiuto CJ, Nellutla R, Chumanevich AP, Oskeritzian CA, Das R, Subramanian H. Osthole, a Natural Plant Derivative Inhibits MRGPRX2 Induced Mast Cell Responses. Front Immunol. 2020; 11:703.