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  1. 1.   Design, Synthesis and Biological Evaluation of 2-Phenyl Indole Analogues of OXi8006 as Colchicine Site Inhibitors of Tubulin Polymerization and Vascular Disrupting Agents
  2. Vairin, Rebecca; Tamminga, Caleb; Shi, Zhe; Borchardt, Christian; Jambulapati, Jayaram; Bai, Ruoli; Wanniarachchi, Hashini; Bueno, Lorena; Hamel,Ernest; Mason, Ralph P; Trawick, Mary Lynn; Pinney, Kevin G
  3. Bioorganic & Medicinal Chemistry. 2024, Nov 07; 118: 117981.
  1. 2.   Evaluation of the Therapeutic Potential of Sulfonyl Urea Derivatives as Soluble Epoxide Hydrolase (sEH) Inhibitors
  2. Kundu, Biswajit; Dvorácskó, Szabolcs; Basu, Abhishek; Pommerolle, Lenny; Kim, Kyu Ah; Wood, Casey M; Gibbs, Eve; Behee, Madeline; Tarasova,Nadya; Cinar, Resat; Iyer, Malliga R
  3. Molecules (Basel, Switzerland). 2024, Jun 26; 29(13):
  1. 3.   Integration of Computational Docking into Anti-Cancer Drug Response Prediction Models
  2. Narykov, Oleksandr; Zhu, Yitan; Brettin, Thomas; Evrard,Yvonne; Partin, Alexander; Shukla, Maulik; Xia, Fangfang; Clyde, Austin; Vasanthakumari, Priyanka; Doroshow, James H; Stevens, Rick L
  3. Cancers. 2023, Dec 21; 16(1):
  1. 4.   DOCK 6: Incorporating hierarchical traversal through precomputed ligand conformations to enable large-scale docking
  2. Balius,Trent; Tan, Y Stanley; Chakrabarti,Mayukh
  3. Journal of Computational Chemistry. 2023, Sep 25;
  1. 5.   Synthesis and biological evaluation of structurally diverse 6-aryl-3-aroyl-indole analogues as inhibitors of tubulin polymerization
  2. Ren, Wen; Deng, Yuling; Ward, Jacob D; Vairin, Rebecca; Bai,Ruoli; Wanniarachchi, Hashini I; Hamal, Khagendra B; Tankoano, Pouguiniseli E; Tamminga, Caleb S; Bueno, Lorena M A; Hamel,Ernest; Mason, Ralph P; Trawick, Mary Lynn; Pinney, Kevin G
  3. European Journal of Medicinal Chemistry. 2023, Sep 06; 263: 115794.
  1. 6.   AI-driven drug repurposing and binding pose meta dynamics identifies novel targets for monkeypox virus
  2. Patel,Chiragkumar; Mall, Raghvendra; Bensmail, Halima
  3. Journal of Infection and Public Health. 2023, Mar 15; 16(5): 799-807.
  1. 7.   Multitarget Potential of Phytochemicals from Traditional Medicinal Tree, Terminalia arjuna (Roxb. ex DC.) Wight & Arnot as Potential Medicaments for Cardiovascular Disease: An In-Silico Approach
  2. Kumar, Vikas; Sharma, Nitin; Orfali, Raha; Patel,Chiragkumar; Alnajjar, Radwan; Saini, Rakshandha; Sourirajan, Anuradha; Khosla, Prem Kumar; Dev, Kamal; Perveen, Shagufta
  3. Molecules (Basel, Switzerland). 2023, Jan 20; 28(3):
  1. 8.   Application of Molecular Dynamics to Expand Docking Program's Exploratory Capabilities and to Evaluate Its Predictions
  2. Kasprzak,Wojciech; Shapiro,Bruce
  3. Methods in Molecular Biology (Clifton, N.J.). 2023 2568: 75-101.
  1. 9.   Metabolic Profile, Biotransformation, Docking Studies and Molecular Dynamics Simulations of Bioactive Compounds Secreted by CG3 Strain
  2. Messaoudi, Omar; Sudarman, Enge; Patel,Chiragkumar; Bendahou, Mourad; Wink, Joachim
  3. Antibiotics (Basel, Switzerland). 2022, May 13; 11(5):
  1. 10.   A practical guide to large-scale docking
  2. Bender, Brian J.; Gahbauer, Stefan; Luttens, Andreas; Lyu, Jiankun; Webb, Chase M.; Stein, Reed M.; Fink, Elissa A.; Balius,Trent; Carlsson, Jens; Irwin, John J.; Shoichet, Brian K.
  3. Nature protocols. 2021, Oct; 16(10): 4799-4832.
  1. 11.   RAB19 Directs Cortical Remodeling and Membrane Growth for Primary Ciliogenesis
  2. Jewett, Cayla E.; Soh, Adam W. J.; Lin, Carrie H.; Lu,Quanlong; Lencer, Ezra; Westlake,Christopher; Pearson, Chad G.; Prekeris, Rytis
  3. Developmental Cell. 2021, Feb 8; 56(3): 325-340.e8.
  1. 12.   Antiangiogenic Activity and in Silico Cereblon Binding Analysis of Novel Thalidomide Analogs
  2. Peach,Megan; Beedie, Shaunna L; Chau, Cindy H; Collins, Matthew K; Markolovic, Suzana; Luo, Weiming; Tweedie, David; Steinebach, Christian; Greig, Nigel H; Gütschow, Michael; Vargesson, Neil; Nicklaus,Marc; Figg, William D
  3. Molecules (Basel, Switzerland). 2020, DEC; 25(23): 5683.
  1. 13.   Modeling ligand docking to RNA in the design of RNA-based nanostructures
  2. Kasprzak,Wojciech; Ahmed, Nour Ali; Shapiro,Bruce
  3. Current opinion in biotechnology. 2020, JUN; 63: 16-25.
  1. 14.   Evaluating the effects of fluorine on biological properties and metabolic stability of some antitubulin 3-substituted 7-phenyl-pyrroloquinolinones
  2. Bortolozzi, Roberta; Carta, Davide; Prà, Matteo Dal; Antoniazzi, Giuseppe; Mattiuzzo, Elena; Sturlese, Mattia; Di Paolo, Veronica; Calderan, Laura; Moro, Stefano; Hamel,Ernest; Quintieri, Luigi; Ronca, Roberto; Viola, Giampietro; Ferlin, Maria Grazia
  3. European journal of medicinal chemistry. 2019, Sep 15; 178: 297-314.
  1. 15.   Synthesis and biological evaluation of indole-2-carbohydrazides and thiazolidinyl-indole-2-carboxamides as potent tubulin polymerization inhibitors
  2. Kazan, Fusun; Yagci, Z Begum; Bai,Ruoli; Ozkirimli, Elif; Hamel,Ernest; Ozkirimli, Sumru
  3. Computational biology and chemistry. 2019, Jun; 80: 512-523.
  1. 16.   Structural basis of phosphatidylcholine recognition by the C2-domain of cytosolic phospholipase A(2)alpha
  2. Hirano, Yoshinori; Gao, Yong-Guang; Stephenson, Daniel J.; Vu, Ngoc T.; Malinina, Lucy; Simanshu,Dhirendra; Chalfant, Charles E.; Patel, Dinshaw J.; Brown, Rhoderick E.
  3. ELIFE. 2019, MAY 3; 8
  1. 17.   High-resolution characterization of centriole distal appendage morphology and dynamics by correlative STORM and electron microscopy
  2. Bowler, Mathew; Kong, Dong; Sun, Shufeng; Nanjundappa, Rashmi; Evans, Lauren; Farmer, Veronica; Holland, Andrew; Mahjoub, Moe R.; Sui, Haixin; Loncarek, Jadranka
  3. Nature communications. 2019, Mar 1; 10(1): 993.
  1. 18.   3-Aryl/Heteroaryl-5-amino-1-(3',4',5'-trimethoxybenzoyl)-1,2,4-triazoles as antimicrotubule agents. Design, synthesis, antiproliferative activity and inhibition of tubulin polymerization
  2. Romagnoli, Romeo; Prencipe, Filippo; Oliva, Paola; Baraldi, Stefania; Baraldi, Pier Giovanni; Brancale, Andrea; Ferla, Salvatore; Hamel, Ernest; Bortolozzi, Roberta; Viola, Giampietro
  3. Bioorganic chemistry. 2018, Oct; 80: 361-374.
  1. 19.   Targeting tubulin polymerization by novel 7-aryl-pyrroloquinolinones: Synthesis, biological activity and SARs
  2. Bortolozzi, Roberta; Mattiuzzo, Elena; Dal Pra, Matteo; Sturlese, Mattia; Moro, Stefano; Hamel, Ernest; Carta, Davide; Viola, Giampietro; Ferlin, Maria Grazia
  3. European journal of medicinal chemistry. 2018, Jan 1; 143: 244-258.
  1. 20.   Targeting tubulin polymerization by novel 7-aryl-pyrroloquinolinones: Synthesis, biological activity and SARs
  2. Bortolozzi, Roberta; Mattiuzzo, Elena; Dal Pra, Matteo; Sturlese, Mattia; Moro, Stefano; Hamel, Ernest; Carta, Davide; Viola, Giampietro; Ferlin, Maria Grazia
  3. European Journal of Medicinal Chemistry. 2018, Jan 01; 143: 244-258.
  1. 21.   Synthesis, structure-activity relationships and biological evaluation of 7-phenyl-pyrroloquinolinone 3-amide derivatives as potent antimitotic agents
  2. Carta, D.; Bortolozzi, R.; Sturlese, M.; Salmaso, V.; Hamel, Ernest; Basso, G.; Calderan, L.; Quintieri, L.; Moro, S.; Viola, G.; Ferlin, M. G.
  3. European Journal of Medicinal Chemistry. 2017, Feb 15; 127: 643-660.
  1. 22.   Probing Oligomerized Conformations of Defensin in the Membrane.
  2. Gan, Wenxun; Schneidman, Dina; Zhang, Ning; Ma, Buyong; Nussinov, Ruth
  3. Methods in molecular biology (Clifton, N.J.). 2017 1529: 353-362.
  1. 23.   Fast and accurate modeling of protein-protein interactions by combining template-interface-based docking with flexible refinement
  2. Tuncbag, N.; Keskin, O.; Nussinov, R.; Gursoy, A.
  3. Proteins-Structure Function and Bioinformatics. 2012, Apr; 80(4): 1239-1249.
  1. 24.   SymmRef: A flexible refinement method for symmetric multimers
  2. Mashiach-Farkash, E.; Nussinov, R.; Wolfson, H. J.
  3. Proteins-Structure Function and Bioinformatics. 2011, Sep; 79(9): 2607-2623.
  1. 25.   Predicting protein-protein interactions on a proteome scale by matching evolutionary and structural similarities at interfaces using PRISM
  2. Tuncbag, N.; Gursoy, A.; Nussinov, R.; Keskin, O.
  3. Nature Protocols. 2011, Sep; 6(9): 1341-1354.
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