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1دورية أكاديمية
المؤلفون: Egor S. Bulavko, Marina A. Pak, Dmitry N. Ivankov
المصدر: Biomolecules, Vol 13, Iss 8, p 1269 (2023)
مصطلحات موضوعية: metalloproteins, PARP-1, DNA-binding domain, zinc finger, uranium, uranyl ion, Microbiology, QR1-502
وصف الملف: electronic resource
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2دورية أكاديمية
المصدر: Molecules, Vol 26, Iss 13, p 3998 (2021)
مصطلحات موضوعية: GTP hydrolysis, Arl3-RP2, reaction mechanism, Gibbs energy profiles, QM/MM, QM/MM molecular dynamics, Organic chemistry, QD241-441
وصف الملف: electronic resource
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المصدر: Molecules
Volume 26
Issue 13
Molecules, Vol 26, Iss 3998, p 3998 (2021)مصطلحات موضوعية: Reaction mechanism, GTP', QM/MM molecular dynamics, Ab initio, Pharmaceutical Science, Organic chemistry, Molecular Dynamics Simulation, biochemistry of vision, 010402 general chemistry, 01 natural sciences, QM/MM, Article, Catalysis, Analytical Chemistry, Molecular dynamics, chemistry.chemical_compound, QD241-441, GTP-Binding Proteins, 0103 physical sciences, Drug Discovery, Physical and Theoretical Chemistry, Arl3-RP2, 010304 chemical physics, ADP-Ribosylation Factors, Hydrolysis, Membrane Proteins, GTP hydrolysis, 0104 chemical sciences, Gibbs energy profiles, Crystallography, chemistry, Models, Chemical, Chemistry (miscellaneous), Guanosine diphosphate, Potential energy surface, Molecular Medicine, Guanosine Triphosphate, reaction mechanism, Umbrella sampling
وصف الملف: application/pdf
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4
المؤلفون: Fedor D. Mulashkin, Egor S. Bulavko, Tatiana M. Zakharova, Maria G. Khrenova, Alexander V. Nemukhin
المصدر: Journal of chemical information and modeling. 60(12)
مصطلحات موضوعية: Quantitative structure–activity relationship, Chemistry, General Chemical Engineering, Cyan, Green Fluorescent Proteins, Imidazoles, General Chemistry, Library and Information Sciences, Chromophore, Fluorescence, Computer Science Applications, Green fluorescent protein, Dipole, Crystallography, Ab initio quantum chemistry methods, Quantum Theory, Prospective Studies, Electronics, Excitation