Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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Material Type: Artigo
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Effects of synergistic and non-synergistic anions on the iron binding site from serum transferrin: A molecular dynamic simulation analysisGhanbari, Z. ; Housaindokht, M.R. ; Bozorgmehr, M.R. ; Izadyar, M.Journal of molecular graphics & modelling, 2017-11, Vol.78, p.176-186 [Periódico revisado por pares]United States: Elsevier IncTexto completo disponível |
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2 |
Material Type: Artigo
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Insights into the substrate binding specificity of quorum-quenching acylase PvdQLiu, Yanyun ; Ebalunode, Jerry O. ; Briggs, James M.Journal of molecular graphics & modelling, 2019-05, Vol.88, p.104-120 [Periódico revisado por pares]United States: Elsevier IncTexto completo disponível |
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3 |
Material Type: Artigo
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Molecular dynamics simulations of the flexibility and inhibition of SARS-CoV-2 NSP 13 helicaseRaubenolt, Bryan A. ; Islam, Naeyma N. ; Summa, Christoper M. ; Rick, Steven W.Journal of molecular graphics & modelling, 2022-05, Vol.112, p.108122-108122, Article 108122 [Periódico revisado por pares]United States: Elsevier IncTexto completo disponível |
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4 |
Material Type: Artigo
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Ensemble-based screening of natural products and FDA-approved drugs identified potent inhibitors of SARS-CoV-2 that work with two distinct mechanismsShadrack, Daniel M. ; Deogratias, Geradius ; Kiruri, Lucy W. ; Swai, Hulda S. ; Vianney, John-Mary ; Nyandoro, Stephen S.Journal of molecular graphics & modelling, 2021-06, Vol.105, p.107871-107871, Article 107871 [Periódico revisado por pares]United States: Elsevier IncTexto completo disponível |
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5 |
Material Type: Artigo
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In silico designing of hyper-glycosylated analogs for the human coagulation factor IXGhasemi, Fahimeh ; Zomorodipour, Alireza ; Karkhane, Ali Asghar ; Khorramizadeh, M.RezaJournal of molecular graphics & modelling, 2016-07, Vol.68, p.39-47 [Periódico revisado por pares]United States: Elsevier IncTexto completo disponível |
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6 |
Material Type: Artigo
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Probing the binding site characteristics of HSA: A combined molecular dynamics and cheminformatics investigationPongprayoon, Prapasiri ; Gleeson, M. PaulJournal of molecular graphics & modelling, 2014-11, Vol.54, p.164-173 [Periódico revisado por pares]United States: Elsevier IncTexto completo disponível |
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7 |
Material Type: Artigo
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Synthesis and evaluation of resveratrol derivatives as new chemical entities for cancerMulakayala, Chaitanya ; Babajan, B. ; Madhusudana, P. ; Anuradha, C.M. ; Rao, Raja Mohan ; Nune, Ravi Prakash ; Manna, Sunil Kumar ; Mulakayala, Naveen ; Kumar, Chitta SureshJournal of molecular graphics & modelling, 2013-04, Vol.41, p.43-54 [Periódico revisado por pares]United States: Elsevier IncTexto completo disponível |
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8 |
Material Type: Artigo
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A computational drug repurposing approach in identifying the cephalosporin antibiotic and anti-hepatitis C drug derivatives for COVID-19 treatmentKumar, Raj ; Kumar, Vikas ; Lee, Keun WooComputers in biology and medicine, 2021-03, Vol.130, p.104186-104186, Article 104186 [Periódico revisado por pares]United States: Elsevier LtdTexto completo disponível |
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9 |
Material Type: Artigo
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Tetrapyrrole binding affinity of the murine and human p22HBP heme-binding proteinsMicaelo, Nuno M. ; Macedo, Anjos L. ; Goodfellow, Brian J. ; Félix, VítorJournal of molecular graphics & modelling, 2010-11, Vol.29 (3), p.396-405 [Periódico revisado por pares]United States: Elsevier IncTexto completo disponível |
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10 |
Material Type: Artigo
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Small molecule interactions with the SARS-CoV-2 main protease: In silico all-atom microsecond MD simulations, PELE Monte Carlo simulations, and determination of in vitro activity inhibitionLiang, Julia ; Pitsillou, Eleni ; Ververis, Katherine ; Guallar, Victor ; Hung, Andrew ; Karagiannis, Tom C.Journal of molecular graphics & modelling, 2022-01, Vol.110, p.108050-108050, Article 108050 [Periódico revisado por pares]United States: Elsevier IncTexto completo disponível |