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| Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
|---|---|---|---|
| 1 |
Material Type: Artigo
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Steered Molecular Dynamics Simulation in Rational Drug DesignDo, Phuc-Chau ; Lee, Eric H ; Le, LyJournal of chemical information and modeling, 2018-08, Vol.58 (8), p.1473-1482 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 2 |
Material Type: Artigo
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Boosting Docking-Based Virtual Screening with Deep LearningPereira, Janaina Cruz ; Caffarena, Ernesto Raúl ; dos Santos, Cicero NogueiraJournal of chemical information and modeling, 2016-12, Vol.56 (12), p.2495-2506 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 3 |
Material Type: Artigo
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Comparative Assessment of Scoring Functions: The CASF-2016 UpdateSu, Minyi ; Yang, Qifan ; Du, Yu ; Feng, Guoqin ; Liu, Zhihai ; Li, Yan ; Wang, RenxiaoJournal of chemical information and modeling, 2019-02, Vol.59 (2), p.895-913 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 4 |
Material Type: Artigo
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First-Principles Molecular Structure Search with a Genetic AlgorithmSupady, Adriana ; Blum, Volker ; Baldauf, CarstenJournal of chemical information and modeling, 2015-11, Vol.55 (11), p.2338-2348 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 5 |
Material Type: Artigo
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Autodock Vina Adopts More Accurate Binding Poses but Autodock4 Forms Better Binding AffinityNguyen, Nguyen Thanh ; Nguyen, Trung Hai ; Pham, T. Ngoc Han ; Huy, Nguyen Truong ; Bay, Mai Van ; Pham, Minh Quan ; Nam, Pham Cam ; Vu, Van V ; Ngo, Son TungJournal of chemical information and modeling, 2020-01, Vol.60 (1), p.204-211 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 6 |
Material Type: Artigo
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Accurate Binding Free Energy Predictions in Fragment OptimizationSteinbrecher, Thomas B ; Dahlgren, Markus ; Cappel, Daniel ; Lin, Teng ; Wang, Lingle ; Krilov, Goran ; Abel, Robert ; Friesner, Richard ; Sherman, WoodyJournal of chemical information and modeling, 2015-11, Vol.55 (11), p.2411-2420 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 7 |
Material Type: Artigo
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BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug DiscoveryDecherchi, Sergio ; Bottegoni, Giovanni ; Spitaleri, Andrea ; Rocchia, Walter ; Cavalli, AndreaJournal of chemical information and modeling, 2018-02, Vol.58 (2), p.219-224 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 8 |
Material Type: Artigo
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Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19Acharya, A ; Agarwal, R ; Baker, M. B ; Baudry, J ; Bhowmik, D ; Boehm, S ; Byler, K. G ; Chen, S. Y ; Coates, L ; Cooper, C. J ; Demerdash, O ; Daidone, I ; Eblen, J. D ; Ellingson, S ; Forli, S ; Glaser, J ; Gumbart, J. C ; Gunnels, J ; Hernandez, O ; Irle, S ; Kneller, D. W ; Kovalevsky, A ; Larkin, J ; Lawrence, T. J ; LeGrand, S ; Liu, S.-H ; Mitchell, J.C ; Park, G ; Parks, J.M ; Pavlova, A ; Petridis, L ; Poole, D ; Pouchard, L ; Ramanathan, A ; Rogers, D. M ; Santos-Martins, D ; Scheinberg, A ; Sedova, A ; Shen, Y ; Smith, J. C ; Smith, M. D ; Soto, C ; Tsaris, A ; Thavappiragasam, M ; Tillack, A. F ; Vermaas, J. V ; Vuong, V. Q ; Yin, J ; Yoo, S ; Zahran, M ; Zanetti-Polzi, LJournal of chemical information and modeling, 2020-12, Vol.60 (12), p.5832-5852 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 9 |
Material Type: Artigo
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CSAR 2014: A Benchmark Exercise Using Unpublished Data from PharmaCarlson, Heather A ; Smith, Richard D ; Damm-Ganamet, Kelly L ; Stuckey, Jeanne A ; Ahmed, Aqeel ; Convery, Maire A ; Somers, Donald O ; Kranz, Michael ; Elkins, Patricia A ; Cui, Guanglei ; Peishoff, Catherine E ; Lambert, Millard H ; Dunbar, James BJournal of chemical information and modeling, 2016-06, Vol.56 (6), p.1063-1077 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 10 |
Material Type: Artigo
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Comparative Assessment of Scoring Functions on an Updated Benchmark: 2. Evaluation Methods and General ResultsLi, Yan ; Han, Li ; Liu, Zhihai ; Wang, RenxiaoJournal of chemical information and modeling, 2014-06, Vol.54 (6), p.1717-1736 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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