المؤلفون: Lin, Tzu-Jen^Aff3, O’Malley, Patrick J.^Aff3

المساهمون: Kuang, Tingyun^Aff1, Lu, Congming^Aff2, Zhang, Lixin^Aff1

المصدر: Photosynthesis Research for Food, Fuel and the Future : 15th International Conference on Photosynthesis. :37-45

المؤلفون: Anthony J. Clark, Richard A. Friesner, Mengzhen Sun, Robert Abel, Lingle Wang, Christopher Negron, Kevin Hauser

المصدر: Journal of Molecular Biology

مصطلحات موضوعية: Databases, Factual, Entropy, HIV Antibodies, HIV Envelope Protein gp120, Molecular Dynamics Simulation, Ligands, Article, Biophysical Phenomena, Accessible surface area, Free energy perturbation, FEP, free energy perturbation, 03 medical and health sciences, 0302 clinical medicine, Protein structure, RMSE, root mean square error, Structural Biology, Drug Discovery, Side chain, antibodies, Protein Interaction Domains and Motifs, free energy perturbation, Molecular Biology, bNAb, broadly neutralizing antibody, SKEMPI, Structural database of Kinetics and Energetics of Mutant Protein Interactions, 030304 developmental biology, 0303 health sciences, Sequence, Chemistry, MM, molecular mechanics, fSASA, fractional solvent accessible surface area, Computational Biology, Proteins, Charge (physics), Hydrogen Bonding, Protein engineering, Small molecule, MD, molecular dynamics, Antibodies, Neutralizing, protein-protein binding, Mutation, mm-GB/SA, molecular mechanics generalized Born surface area, Biological system, 030217 neurology & neurosurgery, Protein Binding

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a3e26e51a641a23ad2a8bbcca21e2142
http://europepmc.org/articles/PMC6453258

المؤلفون: Haggett, Nicholas M. W., Hoffmann, Rainer A., Howlin, Brendan J., Webb, Graham A.

المصدر: Molecular modeling annual. August 1997 3(8):301-310

المؤلفون: Vito Genna, Marco De Vivo, Elisa Donati

المساهمون: Vito Genna, Elisa Donati, Marco De Vivo

مصطلحات موضوعية: 0301 basic medicine, chemistry.chemical_classification, biology, RNA, DNA RNA polymerases catalysis QM/MM molecular mechanics computations modeling, General Chemistry, 010402 general chemistry, 01 natural sciences, Catalysis, 0104 chemical sciences, 03 medical and health sciences, chemistry.chemical_compound, 030104 developmental biology, chemistry, Catalytic cycle, Biochemistry, Nucleic acid biosynthesis, Nucleic acid, biology.protein, Nucleotide, Primer (molecular biology), Polymerase, DNA

وصف الملف: ELETTRONICO

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::848d6013380a56516d530fce23ca503d
http://hdl.handle.net/11585/862204

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المؤلفون: Ángel T. Martínez, Rebecca Pogni, Francisco J. Medrano, Marina Cañellas, Dolores Linde, Victor Guallar, Verónica Sáez-Jiménez, Francisco J. Ruiz-Dueñas, Adalgisa Sinicropi, Antonio A. Romero, Cristina Coscolín, Maria Camilla Baratto, Fátima Lucas

المساهمون: Barcelona Supercomputing Center

المصدر: UPCommons. Portal del coneixement obert de la UPC
Universitat Politècnica de Catalunya (UPC)
Recercat. Dipósit de la Recerca de Catalunya
instname
Biochemical Journal

مصطلحات موضوعية: Models, Molecular, Protein Conformation, ABTS, 2,2′-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid), VP, versatile peroxidase, dye-decolorizing peroxidase, site-directed mutagenesis, EPR spectroscopy, molecular docking, QM/MM, catalytic protein radicals, QM, quantum mechanics, VA, veratryl alcohol, Multifrequency EPR, Biochemistry, Protein structure, catalytic protein radicals, Auricularia auricula-judae, NBS, N-bromosuccinimide, Coloring Agents, Site-directed mutagenesis, Dye decolorizing peroxidase, chemistry.chemical_classification, Fungal protein, biology, Chemistry, Enginyeria mecànica::Impacte ambiental [Àrees temàtiques de la UPC], Tryptophan, PELE, Protein Energy Landscape Exploration, Recombinant Proteins, hfcc, hyperfine coupling constant, Molecular Docking Simulation, Peroxidases, catalytic protein radical, Molecular docking, site-directed mutagenesis, Oxidation-Reduction, Research Article, EPR spectroscopy, RB19, Reactive Blue 19, Peroxidase, Hemeproteins, Free Radicals, Surface Properties, Stereochemistry, LRET, long-range electron transfer, DyP, dye-decolorizing peroxidase, Molecular Dynamics Simulation, QM/MM, Fungal Proteins, RB5, Reactive Black 5, Oxidoreductase, dye-decolorizing peroxidase, Enzyme kinetics, LiP, lignin peroxidase, Catalytic protein radicals, Molecular Biology, Dye-decolorizing peroxidase, Binding Sites, Basidiomycota, Protein, DMP, 2,6-dimethoxyphenol, MM, molecular mechanics, molecular docking, Cell Biology, WT, wild-type, TNM, tetranitromethane, Amino Acid Substitution, Biocatalysis, Mutagenesis, Site-Directed, biology.protein, Tyrosine, Mutant Proteins, Proteïnes

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::10bb99b56025a9789d53e0fef7b90dbb
https://hdl.handle.net/2117/84134

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