Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Quantum Mechanics/Molecular Mechanics Modeling of Covalent Addition between EGFR–Cysteine 797 and N‑(4-Anilinoquinazolin-6-yl) AcrylamideCapoferri, Luigi ; Lodola, Alessio ; Rivara, Silvia ; Mor, MarcoJournal of chemical information and modeling, 2015-03, Vol.55 (3), p.589-599 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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2 |
Material Type: Livro
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Molecular quantum mechanicsP. W. Atkins 1940- (Peter William)Oxford Oxfordshire New York Oxford University Press 1983Localização: CQ - Conjunto das Químicas (541.28 A874m 1983 e.3 ) e outros locais(Acessar) |
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3 |
Material Type: Artigo
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How Does the Nonheme Iron Enzyme NapI React through l‑Arginine Desaturation Rather Than Hydroxylation? A Quantum Mechanics/Molecular Mechanics StudyAli, Hafiz Saqib ; Warwicker, Jim ; de Visser, Sam P.ACS catalysis, 2023-08, Vol.13 (16), p.10705-10721 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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4 |
Material Type: Livro
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Quantum mechanics in chemistryMelvin W. HannaMenlo Park, Calif. Benjamin/Cummings Pub. Co. c1981Localização: FFCLRP - Fac. Fil. Ciên. Let. de R. Preto (530.145 H243q3 ) e outros locais(Acessar) |
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5 |
Material Type: Livro
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Computational chemistry introduction to the theory and applications of molecular and quantum mechanicsErrol LewarsBoston Kluwer Academic Publishers 2004, c2003Localização: CQ - Conjunto das Químicas (540.02854 L669c ) e outros locais(Acessar) |
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6 |
Material Type: Artigo
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DNA origami nano-mechanicsJi, Jiahao ; Karna, Deepak ; Mao, HanbinChemical Society reviews, 2021-11, Vol.5 (21), p.11966-11978 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
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7 |
Material Type: Artigo
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A quantum mechanics and molecular mechanics study of bis-thiosemicarbazones with strong antiplasmodial properties as Fe()-selective chelators and inhibitors of hemozoin formationNkungli, Nyiang Kennet ; Aponglen, Godfred Ayimele ; Tasheh, Stanley Numbonui ; Hassan, Abrar Ul ; Ghogomu, Julius NumbonuiNew journal of chemistry, 2024-03, Vol.48 (13), p.5636-5648 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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8 |
Material Type: Artigo
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Investigation of the CH3Cl + CN(-) reaction in water: Multilevel quantum mechanics/molecular mechanics studyXu, Yulong ; Zhang, Jingxue ; Wang, DunyouThe Journal of chemical physics, 2015-06, Vol.142 (24), p.244505-244505 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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9 |
Material Type: Artigo
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MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculationsCárdenas, Gustavo ; Lucia‐Tamudo, Jesús ; Mateo‐delaFuente, Henar ; Palmisano, Vito F. ; Anguita‐Ortiz, Nuria ; Ruano, Lorena ; Pérez‐Barcia, Álvaro ; Díaz‐Tendero, Sergio ; Mandado, Marcos ; Nogueira, Juan J.Journal of computational chemistry, 2023-02, Vol.44 (4), p.516-533 [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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10 |
Material Type: Artigo
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Tissue mechanicsKabla, Alexandre ; Ladoux, Benoît ; Di Meglio, Jean-MarcThe European physical journal. E, Soft matter and biological physics, 2022-11, Vol.45 (11), p.90-90, Article 90 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |