Arama Sonuçları - "density functional theory"

Prediction of ADMET, molecular docking, DFT, and QSPR of potential phytoconstituents from Ambrosia maritima L. targeting xanthine oxidase Yazar: Wadah Osman, Shaza Shantier, Nazik Mohamed, Sahar Abdalla, Mona Mohamed, Yunsua Umar, Asmaa E. Sherif, Khaled M. Elamin, Ahmed Ashour

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Two Novel Co-Crystals of Naproxen: Comparison of Stability, Solubility and Intermolecular Interaction Yazar: Cheng Xing, Ting Chen, Li Wang, Qi An, Yali Jin, Dezhi Yang, Li Zhang, Guanhua Du, Yang Lu

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Sesquiterpene glycosides from the roots of Codonopsis pilosula Yazar: Yueping Jiang, Yufeng Liu, Qinglan Guo, Chengbo Xu, Chenggen Zhu, Jiangong Shi

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Metal Complexes as DNA Synthesis and/or Repair Inhibitors: Anticancer and Antimicrobial Agents Yazar: Mpho Phehello Ngoepe, Hadley S. Clayton

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The Antioxidant Capability of Higenamine: Insights from Theory Yazar: Isabella Romeo, Angela Parise, Annia Galano, Nino Russo, Juan Raúl Alvarez-Idaboy, Tiziana Marino

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Acetylenes and fatty acids from Codonopsis pilosula Yazar: Yueping Jiang, Yufeng Liu, Qinglan Guo, Zhibo Jiang, Chengbo Xu, Chenggen Zhu, Yongchun Yang, Sheng Lin, Jiangong Shi

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Theoretical study of hydrogen adsorption on graphene nanostructures functionalized with nickel for solid state hydrogen storage Yazar: ameer albyatei, Issa assaflly

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Exploring the Solid-State Landscape of Carbamazepine during Dehydration: A Low Frequency Raman Spectroscopy Perspective Yazar: Peter III J. G. Remoto, Kārlis Bērziņš, Sara J. Fraser-Miller, Timothy M. Korter, Thomas Rades, Jukka Rantanen, Keith C. Gordon

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Low-Frequency Raman Spectroscopy of Pure and Cocrystallized Mycophenolic Acid Yazar: Catherine S. Wallace, Margaret P. Davis, Timothy M. Korter

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Molecular modelling of betalactamic antibiotic Yazar: Elso Manuel Cruz Cruz, Grettel Díaz Ramón

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Application of DFT Calculations in Designing Polymer-Based Drug Delivery Systems: An Overview Yazar: Oluwasegun Chijioke Adekoya, Gbolahan Joseph Adekoya, Emmanuel Rotimi Sadiku, Yskandar Hamam, Suprakas Sinha Ray

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Molecular Docking and Thermodynamic Studies of the Interactions between Aspirinate Complexes of Transition metals and Cyclooxygenase-2 Enzyme: Quantum Chemical Calculations based o... Yazar: Maryam Mortazavi, Amirhossein Sakhteman, Anahita Hessami, Hossein Sadeghpour

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Capsaicin, a Powerful ^•OH-Inactivating Ligand Yazar: Adriana Pérez-González, Mario Prejanò, Nino Russo, Tiziana Marino, Annia Galano

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Molecular modelling of betalactamic antibiotic Yazar: Elso Manuel Cruz Cruz, Grettel Díaz Ramón

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Molecular Docking and Thermodynamic Studies of the Interactions between Aspirinate Complexes of Transition metals and Cyclooxygenase-2 Enzyme: Quantum Chemical Calculations based o... Yazar: Maryam Mortazavi, Amirhossein Sakhteman, Anahita Hessami, Hossein Sadeghpour

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Antioxidative Action of Ellagic Acid-A Kinetic DFT Study Yazar: Jelena Tošović, Urban Bren

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Computational Discovery of Marine Molecules of the Cyclopeptide Family with Therapeutic Potential Yazar: Norma Flores-Holguín, Joan S. Salas-Leiva, Daniel Glossman-Mitnik

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First principles investigations of rotational barrier and hyperfine interactions of muonium in tetraphenylsilane / Pek-Lan Toh ... [et al.] Yazar: Toh, Pek-Lan, Sulaiman, Shukri, Mohamed-Ibrahim, Mohamed Ismail, Jayasooriya, Upali A.

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Synthesis, X-ray structure, in silico calculation, and carbonic anhydrase inhibitory properties of benzylimidazole metal complexes Yazar: Mehdi Bouchouit, Sofiane Bouacida, Bachir Zouchoune, Hocine Merazig, Silvia Bua, Zouhair Bouaziz, Marc Le Borgne, Claudiu T. Supuran, Abdelmalek Bouraiou

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Inhibition of the Peroxygenase Lytic Polysaccharide Monooxygenase by Carboxylic Acids and Amino Acids Yazar: Erik Breslmayr, Peter Poliak, Alen Požgajčić, Roman Schindler, Daniel Kracher, Chris Oostenbrink, Roland Ludwig

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