Below are the most recent publications written about "Molecular Docking Simulation" by people in Profiles.
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Ma Y, Li P, Xie W, Liu F, Li D, Rehman AU, Wang D, Zhou JJ, Ma Y, Chen Z. The Microbial Metabolite Wuyiencin Potentially Targets Threonine Dehydratase in Didymella segeticola to Achieve Control of Tea Leaf Spot. Phytopathology. 2025 Feb; 115(2):151-161.
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Freidel MR, Vakhariya PA, Sardarni SK, Armen RS. The Dual-Targeted Fusion Inhibitor Clofazimine Binds to the S2 Segment of the SARS-CoV-2 Spike Protein. Viruses. 2024 04 20; 16(4).
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Palatnik-de-Sousa I, Wallace ZS, Cavalcante SC, Ribeiro MPF, Silva JABM, Cavalcante RC, Scheuermann RH, Palatnik-de-Sousa CB. A novel vaccine based on SARS-CoV-2 CD4+ and CD8+ T cell conserved epitopes from variants Alpha to Omicron. Sci Rep. 2022 10 06; 12(1):16731.
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Miller KD, Pniewski K, Perry CE, Papp SB, Shaffer JD, Velasco-Silva JN, Casciano JC, Aramburu TM, Srikanth YVV, Cassel J, Skordalakes E, Kossenkov AV, Salvino JM, Schug ZT. Targeting ACSS2 with a Transition-State Mimetic Inhibits Triple-Negative Breast Cancer Growth. Cancer Res. 2021 03 01; 81(5):1252-1264.
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Glasgow A, Glasgow J, Limonta D, Solomon P, Lui I, Zhang Y, Nix MA, Rettko NJ, Zha S, Yamin R, Kao K, Rosenberg OS, Ravetch JV, Wiita AP, Leung KK, Lim SA, Zhou XX, Hobman TC, Kortemme T, Wells JA. Engineered ACE2 receptor traps potently neutralize SARS-CoV-2. Proc Natl Acad Sci U S A. 2020 11 10; 117(45):28046-28055.
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Anwar F, Saleem U, Ahmad B, Ashraf M, Rehman AU, Froeyen M, Kee LY, Abdullah I, Mirza MU, Ahmad S. New naphthalene derivative for cost-effective AChE inhibitors for Alzheimer's treatment: In silico identification, in vitro and in vivo validation. Comput Biol Chem. 2020 Dec; 89:107378.
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Galvagni F, Nardi F, Spiga O, Trezza A, Tarticchio G, Pellicani R, Andreuzzi E, Caldi E, Toti P, Tosi GM, Santucci A, Iozzo RV, Mongiat M, Orlandini M. Dissecting the CD93-Multimerin 2 interaction involved in cell adhesion and migration of the activated endothelium. Matrix Biol. 2017 12; 64:112-127.
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Sakkal LA, Rajkowski KZ, Armen RS. Prediction of consensus binding mode geometries for related chemical series of positive allosteric modulators of adenosine and muscarinic acetylcholine receptors. J Comput Chem. 2017 06 05; 38(15):1209-1228.
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Gardinier KM, Gernert DL, Porter WJ, Reel JK, Ornstein PL, Spinazze P, Stevens FC, Hahn P, Hollinshead SP, Mayhugh D, Schkeryantz J, Khilevich A, De Frutos O, Gleason SD, Kato AS, Luffer-Atlas D, Desai PV, Swanson S, Burris KD, Ding C, Heinz BA, Need AB, Barth VN, Stephenson GA, Diseroad BA, Woods TA, Yu H, Bredt D, Witkin JM. Discovery of the First a-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptor Antagonist Dependent upon Transmembrane AMPA Receptor Regulatory Protein (TARP) ?-8. J Med Chem. 2016 05 26; 59(10):4753-68.
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Goodacre N, Edwards N, Danielsen M, Uetz P, Wu C. Predicting nsSNPs that Disrupt Protein-Protein Interactions Using Docking. IEEE/ACM Trans Comput Biol Bioinform. 2017 Sep-Oct; 14(5):1082-1093.