Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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11 |
Material Type: Artigo
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Discipline, Level, Genre: Integrating Situational Perspectives in a New MD Analysis of University Student WritingGardner, Sheena ; Nesi, Hilary ; Biber, DouglasApplied linguistics, 2019-08, Vol.40 (4), p.646-674 [Periódico revisado por pares]Oxford University PressTexto completo disponível |
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12 |
Material Type: Artigo
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A detailed investigation on the corrosion inhibition effect of by newly synthesized pyran derivative on mild steel in 1.0 M HCl: Experimental, surface morphological (SEM-EDS, DRX& AFM) and computational analysis (DFT & MD simulation)Ouakki, Moussa ; Galai, Mouhsine ; Benzekri, Zakaria ; Aribou, Zakia ; Ech-chihbi, Elhachmia ; Guo, Lei ; Dahmani, Khadija ; Nouneh, Khalid ; Briche, Samir ; Boukhris, Said ; Cherkaoui, MohammedJournal of molecular liquids, 2021-12, Vol.344, p.117777, Article 117777 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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13 |
Material Type: Artigo
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Performance Analysis of the χMD Matrix Solver Package for MODFLOW‐USGIbaraki, Motomu ; Zhang, Yiding ; Niswonger, Richard G. ; Panday, SorabGround water, 2021-11, Vol.59 (6), p.905-912 [Periódico revisado por pares]Malden, US: Blackwell Publishing LtdTexto completo disponível |
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14 |
Material Type: Artigo
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New enantioenriched β-indolyl ketones as aromatase inhibitors: Unraveling heme-ligand interactions by MD simulation and MMPBSA analysisPasha, Maira Hasnain ; Gondal, Humaira Yasmeen ; Munir, Shanza ; Alhussain, Sami A ; Zaki, Magdi E AArchiv der Pharmazie (Weinheim), 2024-04, p.e2400010-e2400010 [Periódico revisado por pares]GermanyTexto completo disponível |
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15 |
Material Type: Artigo
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Exploring the impact of CYP11A1’s missense SNPs on the interaction between CYP11A1 and cholesterol: A comprehensive structural analysis and MD simulation studyRedouane, Salaheddine ; Harmak, Houda ; Elkarhat, Zouhair ; Charoute, Hicham ; Malki, Abderrahim ; Barakat, Abdelhamid ; Rouba, HassanComputational biology and chemistry, 2023-10, Vol.106, p.107937-107937, Article 107937 [Periódico revisado por pares]England: Elsevier LtdTexto completo disponível |
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16 |
Material Type: Artigo
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Interactions of nucleosomes with acidic patch binding peptides: Combining structural analysis, MD simulations, and experimentsShaytan, Alexey ; Armeev, Grigoriy A. ; Oleinikov, Pavel D. ; Motorin, Nikita A. ; Singh-Palchevskaya, Lavprit ; Sivkina, Anastasiia L. ; Feskin, Pavel G. ; Komarova, Galina A. ; Kirpichnikov, Mikhail P. ; Feofanov, Alexei V. ; Afonin, Dmitry A. ; Fedulova, Anastasiia S. ; Studitsky, Vasily M. ; Glukhov, Grigory S.Biophysical journal, 2024-02, Vol.123 (3), p.3a-3a [Periódico revisado por pares]Elsevier IncTexto completo disponível |
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17 |
Material Type: Artigo
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Detailed DFT/MD simulation, surface analysis and electrochemical computer explorations of aldehyde derivatives for mild steel in 1.0 M HClLazrak, J. ; Ech-chihbi, E. ; El Ibrahimi, B. ; El Hajjaji, F. ; Rais, Z. ; Tachihante, M. ; Taleb, M.Colloids and surfaces. A, Physicochemical and engineering aspects, 2022-01, Vol.632, p.127822, Article 127822 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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18 |
Material Type: Artigo
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Mullite‐glass and mullite‐mullite interfaces: Analysis by molecular dynamics (MD) simulation and high‐resolution TEMAdabifiroozjaei, Esmaeil ; Hart, Judy N. ; Koshy, Pramod ; Mitchell, David R. G. ; Sorrell, Charles C.Journal of the American Ceramic Society, 2018-01, Vol.101 (1), p.428-439 [Periódico revisado por pares]Columbus: Wiley Subscription Services, IncTexto completo disponível |
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19 |
Material Type: Artigo
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Investigations into the electronic properties of lorlatinib, an anti‐cancerous drug using DFT, wavefunction analysis and MD simulationsAl‐Otaibi, Jamelah S. ; Mary, Y. Sheena ; Mary, Y. Shyma ; Thirunavukkarasu, M.Vietnam journal of chemistry, 2022-06, Vol.60 (3), p.307-316 [Periódico revisado por pares]Weinheim: WILEY‐VCH Verlag GmbH & Co. KGaATexto completo disponível |
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20 |
Material Type: Artigo
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Exploring cyclopropylamine containing cyanopyrimidines as LSD1 inhibitors: Design, synthesis, ADMET, MD analysis and anticancer activity profilingAhmad Sheikh, Khursheed ; Parveen, Darakhshan ; Mumtaz Alam, M. ; Azam, Faizul ; Ahmed Khan, Mohammad ; Akhter, Mymoona ; Tasneem, Sharba ; Meenu ; Parvez, Suhel ; Imtiyaz, Khalid ; Rizvi, Moshahid A. ; Shaquiquzzaman, M.Bioorganic chemistry, 2024-06, Vol.147, p.107336-107336, Article 107336 [Periódico revisado por pares]United States: Elsevier IncTexto completo disponível |