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Material Type: Artigo
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Identification of electrostatic epitopes in flavivirus by computer simulations the PROCEEDpKa methodSergio Alejandro Poveda Cuevas Catherine Etchebest; Fernando Luís Barroso da SilvaJournal of Chemical Information and Modeling Washington v. 60, n. 2, p. 944-963, 2019Washington 2019Localização: FCFRP - Fac. Ciên. Farm. Ribeirão Preto (pcd 3089754 Acervo Digital )(Acessar) |
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Material Type: Artigo
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Binding Mechanism of Neutralizing Nanobodies Targeting SARS-CoV‑2 Spike GlycoproteinGolcuk, Mert ; Hacisuleyman, Aysima ; Erman, Burak ; Yildiz, Ahmet ; Gur, MertJournal of chemical information and modeling, 2021-10, Vol.61 (10), p.5152-5160 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Multiepitope Subunit Vaccine to Evoke Immune Response against Acute EncephalitisKumar, Neeraj ; Sood, Damini ; Sharma, Neera ; Chandra, RameshJournal of chemical information and modeling, 2020-01, Vol.60 (1), p.421-433 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Inference of Developmental Hierarchy and Functional States of Exhausted T Cells from Epigenetic Profiles with Deep LearningChen, Hongyan ; Yan, Dongxue ; Sun, Jie ; Zhou, MengJournal of chemical information and modeling, 2024-04, Vol.64 (8), p.3579-3591 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Molecular Insights into the Variability in Infection and Immune Evasion Capabilities of SARS-CoV‑2 Variants: A Sequence and Structural Investigation of the RBD DomainWang, Tian Hua ; Shao, Hai Ping ; Zhao, Bing Qiang ; Zhai, Hong LinJournal of chemical information and modeling, 2024-04, Vol.64 (8), p.3503-3523 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Identification of Electrostatic Epitopes in Flavivirus by Computer Simulations: The PROCEEDpKa MethodPoveda-Cuevas, Sergio A ; Etchebest, Catherine ; Barroso da Silva, Fernando LJournal of chemical information and modeling, 2020-02, Vol.60 (2), p.944-963 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Discovery of Novel CXCR2 Inhibitors Using Ligand-Based Pharmacophore ModelsHa, Helen ; Debnath, Bikash ; Odde, Srinivas ; Bensman, Tim ; Ho, Henry ; Beringer, Paul M ; Neamati, NouriJournal of chemical information and modeling, 2015-08, Vol.55 (8), p.1720-1738 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Subangstrom Accuracy in pHLA‑I Modeling by Rosetta FlexPepDock Refinement ProtocolLiu, Tengfei ; Pan, Xianchao ; Chao, Li ; Tan, Wen ; Qu, Sujun ; Yang, Li ; Wang, Bochu ; Mei, HuJournal of chemical information and modeling, 2014-08, Vol.54 (8), p.2233-2242 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Structurally Conserved Binding Sites of Hemagglutinin as Targets for Influenza Drug and Vaccine DevelopmentYusuf, Muhammad ; Konc, Janez ; Sy Bing, Choi ; Trykowska Konc, Joanna ; Ahmad Khairudin, Nurul Bahiyah ; Janezic, Dusanka ; Wahab, Habibah AJournal of chemical information and modeling, 2013-09, Vol.53 (9), p.2423-2436 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Assessment of Solvated Interaction Energy Function for Ranking Antibody–Antigen Binding AffinitiesSulea, Traian ; Vivcharuk, Victor ; Corbeil, Christopher R ; Deprez, Christophe ; Purisima, Enrico OJournal of chemical information and modeling, 2016-07, Vol.56 (7), p.1292-1303 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |