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Aggregation of Lipid A Variants: A Hybrid Particle-Field Model
De Nicola, Antonio, Soares, Thereza A., Santos, Denys E.S., Bore, Sigbjørn Løland, Sevink, G.J. Agur, Cascella, Michele, Milano, Giuseppe
Published in Biochimica et Biophysica Acta (BBA) - General Subjects (01.04.2021)
Published in Biochimica et Biophysica Acta (BBA) - General Subjects (01.04.2021)
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Anti-Butterfly Effect in Ribavirin Studied by Combined Experiment (PXRD/1H-14N NQR Cross-Relaxation Spectroscopy), Quantum Chemical Calculations, Molecular Docking, Molecular Dynamics Simulations, and Novel Structure-Binding Strength and Quadrupolar Indices
Latosińska, Jolanta Natalia, Latosińska, Magdalena, Seliger, Janez, Žagar, Veselko, Apih, Tomaž
Published in Molecules (Basel, Switzerland) (27.02.2025)
Published in Molecules (Basel, Switzerland) (27.02.2025)
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Mechanism of alkaloid-based inhibition of aldose reductase: Computational perspectives and experimental validations
Kamel, Emadeldin M., Maodaa, Saleh, Othman, Sarah I., Abalkhail, Adil, Aba Alkhayl, Faris F., Lamsabhi, Al Mokhtar
Published in Biochimica et biophysica acta. General subjects (01.08.2025)
Published in Biochimica et biophysica acta. General subjects (01.08.2025)
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Computational analysis of the alpha−2 domain of apolipoprotein B − 100, a potential triggering factor in LDL aggregation
Tan, Joanne Jennifer E., Bilog, Marvin M., Profit, Adam A., Heralde, Francisco M., Desamero, Ruel Z.B.
Published in Biochimica et biophysica acta. General subjects (01.02.2025)
Published in Biochimica et biophysica acta. General subjects (01.02.2025)
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SecM leader peptide as an allosteric translation inhibitor: a molecular dynamics study
Makarov, G.I., Makarova, T.M.
Published in Biochimica et biophysica acta. General subjects (01.11.2024)
Published in Biochimica et biophysica acta. General subjects (01.11.2024)
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Structural and biochemical characterization of active sites mutant in human inorganic pyrophosphatase
Zheng, Shuping, Zheng, Chenhua, Chen, Sishi, Guo, Jianpeng, Huang, Lirui, Huang, Zhenhong, Xu, Sunting, Wu, Yihan, Li, Shunfa, Lin, Junjin, You, Yiqing, Hu, Fen
Published in Biochimica et biophysica acta. General subjects (01.05.2024)
Published in Biochimica et biophysica acta. General subjects (01.05.2024)
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Multispectral and molecular simulation of the interaction of human α1-acid glycoprotein with palbociclib
Jiang, Shao-Liang, Wu, Yu-Ting, Chen, Wang-Cai, Huang, Jia-Ping, Chen, Dong, Li, Li, Han, Liang, Shi, Jie-Hua
Published in Biochimica et biophysica acta. General subjects (01.11.2024)
Published in Biochimica et biophysica acta. General subjects (01.11.2024)
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Cytosine ribose flexibility in DNA: a combined NMR ¹³C spin relaxation and molecular dynamics simulation study
Duchardt, Elke, Nilsson, Lennart, Schleucher, Jürgen
Published in Nucleic acids research (01.07.2008)
Published in Nucleic acids research (01.07.2008)
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Peptide PaDBS1R6 has potent antibacterial activity on clinical bacterial isolates and integrates an immunomodulatory peptide fragment within its sequence
Rezende, Samilla B., Chan, Lai Yue, Oshiro, Karen G.N., Buccini, Danieli F., Leal, Ana Paula Ferreira, Ribeiro, Camila F., Souza, Carolina M., Brandão, Amanda L.O., Gonçalves, Regina M., Cândido, Elizabete S., Macedo, Maria L.R., Craik, David J., Franco, Octávio L., Cardoso, Marlon H.
Published in Biochimica et biophysica acta. General subjects (01.11.2024)
Published in Biochimica et biophysica acta. General subjects (01.11.2024)
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Hybrid virtual screening identifies dipyrazole carboxamide derivatives as novel direct InhA inhibitors with antitubercular activity
Punkvang, Auradee, Pakamwong, Bongkochawan, Phusi, Naruedon, Thongdee, Paptawan, Chayajarus, Kampanart, Sangswan, Jidapa, Pangjit, Kanjana, Suttisintong, Khomson, Leanpolchareanchai, Jiraporn, Hongmanee, Poonpilas, Santanirand, Pitak, Spencer, James, Mulholland, Adrian J., Sureram, Sanya, Kittakoop, Prasat, Pungpo, Pornpan
Published in Biochimica et biophysica acta. General subjects (01.07.2025)
Published in Biochimica et biophysica acta. General subjects (01.07.2025)
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Engineering C–C Bond Cleavage Activity into a P450 Monooxygenase Enzyme
Miller, Justin C., Lee, Joel H. Z., Mclean, Mark A., Chao, Rebecca R., Stone, Isobella S. J., Pukala, Tara L., Bruning, John B., De Voss, James J., Schuler, Mary A., Sligar, Stephen G., Bell, Stephen G.
Published in Journal of the American Chemical Society (26.04.2023)
Published in Journal of the American Chemical Society (26.04.2023)
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Atomic-level description of ubiquitin folding
Piana, Stefano, Lindorff-Larsen, Kresten, Shaw, David E.
Published in Proceedings of the National Academy of Sciences - PNAS (09.04.2013)
Published in Proceedings of the National Academy of Sciences - PNAS (09.04.2013)
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