المؤلفون: Howes, B.D., Giordano, D., Boechi, L., Mucciacciaro, S., Fittipaldi, M., Estrin, D.A., Coletta, M., Verde, C., Smulevich, G.

المصدر: AIP Conf. Proc. 2010;1267:29-30

وصف الملف: application/pdf

Relation: http://hdl.handle.net/20.500.12110/paper_0094243X_v1267_n_p29_Howes; http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_0094243X_v1267_n_p29_Howes_oai

الاتاحة: https://hdl.handle.net/20.500.12110/paper_0094243X_v1267_n_p29_Howes
http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_0094243X_v1267_n_p29_Howes_oai

المؤلفون: Boechi, L., Arrar, M., Martí, M.A., Olson, J.S., Roitberg, A.E., Estrin, D.A.

المصدر: J. Biol. Chem. 2013;288(9):6754-6762

مصطلحات موضوعية: Active site, Conceptual frameworks, Energy profile, Histidine residues, Hydrophobic effect, Hydrophobic sites, Molecular dynamics simulations, Open conformation, Oxygen migration, Oxygen uptake, Protonation state, Rate enhancement, Side-chains, Significant differences, Amino acids, Hydrophobicity, Ligands, Molecular dynamics, Oxygen, Protonation, Conformations, alanine, histidine, histidine E7, myoglobin, tryptophan, unclassified drug, article, chemical structure, energy transfer

وصف الملف: application/pdf

Relation: http://hdl.handle.net/20.500.12110/paper_00219258_v288_n9_p6754_Boechi; http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219258_v288_n9_p6754_Boechi_oai

الاتاحة: https://hdl.handle.net/20.500.12110/paper_00219258_v288_n9_p6754_Boechi
http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219258_v288_n9_p6754_Boechi_oai

المؤلفون: Marcelli, A., Abbruzzetti, S., Bustamante, J.P., Feis, A., Bonamore, A., Boffi, A., Gellini, C., Salvi, P.R., Estrin, D.A., Bruno, S., Viappiani, C., Foggi, P.

المصدر: PLoS ONE 2012;7(7)

مصطلحات موضوعية: carbon monoxide, truncated hemoglobin, article, bacterium, binding affinity, binding kinetics, binding site, complex formation, controlled study, enthalpy, entropy, ligand binding, molecular dynamics, molecular recognition, nonhuman, photoacoustic spectroscopy, photolysis, protein binding, quantum yield, steady state, temperature sensitivity, Thermobifida fusca, Actinomycetales, Kinetics, Ligands, Time Factors, Truncated Hemoglobins

وصف الملف: application/pdf

Relation: http://hdl.handle.net/20.500.12110/paper_19326203_v7_n7_p_Marcelli; http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_19326203_v7_n7_p_Marcelli_oai

الاتاحة: https://hdl.handle.net/20.500.12110/paper_19326203_v7_n7_p_Marcelli
http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_19326203_v7_n7_p_Marcelli_oai

المؤلفون: Oliveira, A., Singh, S., Bidon-Chanal, A., Forti, F., Martí, M.A., Boechi, L., Estrin, D.A., Dikshit, K.L., Luque, F.J.

المصدر: PLoS ONE 2012;7(11)

مصطلحات موضوعية: alanine, dioxygenase, heme, isoleucine, nitric oxide dioxygenase, oxygen, phenylalanine, phenylalanine 15, truncated hemoglobin, truncated hemoglobin N, tryptophan, tyrosine, unclassified drug, article, conformational transition, controlled study, detoxification, down regulation, enzyme activity, ligand binding, molecular dynamics, mutant, mutational analysis, Mycobacterium tuberculosis, nonhuman, oxidation, oxygen affinity, site directed mutagenesis, structure analysis, wild type

وصف الملف: application/pdf

Relation: http://hdl.handle.net/20.500.12110/paper_19326203_v7_n11_p_Oliveira; http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_19326203_v7_n11_p_Oliveira_oai

الاتاحة: https://hdl.handle.net/20.500.12110/paper_19326203_v7_n11_p_Oliveira
http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_19326203_v7_n11_p_Oliveira_oai

المؤلفون: Lewis-Ballester, A., Batabyal, D., Egawa, T., Lu, C., Lin, Y., Marti, M.A., Capece, L., Estrin, D.A., Yeh, S.-R.

المصدر: Proc. Natl. Acad. Sci. U. S. A. 2009;106(41):17371-17376

مصطلحات موضوعية: Indoleamine 2,3-dioxygenase, Reasonance raman spectroscopy, Tryptophan dioxygenase, indoleamine 2,3 dioxygenase, oxygen, tryptophan 2,3 dioxygenase, article, atom, controlled study, enzyme chemistry, enzyme conformation, enzyme mechanism, enzyme regulation, enzyme structure, kinetics, priority journal, Raman spectrometry, Computer Simulation, Crystallography, X-Ray, Dioxygenases, Humans, Indoleamine-Pyrrole 2,3,-Dioxygenase, Kynurenine, Spectrum Analysis, Raman, Tryptophan

وصف الملف: application/pdf

Relation: http://hdl.handle.net/20.500.12110/paper_00278424_v106_n41_p17371_LewisBallester; http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00278424_v106_n41_p17371_LewisBallester_oai

الاتاحة: https://hdl.handle.net/20.500.12110/paper_00278424_v106_n41_p17371_LewisBallester
http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00278424_v106_n41_p17371_LewisBallester_oai

المؤلفون: Sciaini, G., Fernández-Prini, R., Estrin, D.A., Marceca, E.

المصدر: J Chem Phys 2007;126(17)

مصطلحات موضوعية: Ammonia, Charge transfer, Molecular dynamics, Phase transitions, Photons, Potassium, Solvents, Thermodynamics, Charge transfer to solvent (CTTS), Electron detachment energies, Molecular dynamics trajectory, Photon absorption, Iodine

وصف الملف: application/pdf

Relation: http://hdl.handle.net/20.500.12110/paper_00219606_v126_n17_p_Sciaini; http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v126_n17_p_Sciaini_oai

الاتاحة: https://hdl.handle.net/20.500.12110/paper_00219606_v126_n17_p_Sciaini
http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v126_n17_p_Sciaini_oai

المؤلفون: Turjanski, A.G., Estrin, D.A., Rosenstein, R.E., Mccormick, J.E., Martin, S.R., Pastore, A., Biekofsky, R.R., Martorana, V.

المصدر: Protein Sci. 2004;13(11):2925-2938

مصطلحات موضوعية: Calmodulin, Fluorescence, Melatonin, Molecular dynamics, NMR, Weak interactions, calcium, amino terminal sequence, article, binding affinity, carboxy terminal sequence, correlation analysis, fluorescence spectroscopy, molecular interaction, monitoring, nuclear magnetic resonance spectroscopy, priority journal, protein domain, protein interaction, simulation, titrimetry, Binding Sites, Computer Simulation, Drosophila Proteins, Models, Molecular, Motion, Nuclear Magnetic Resonance, Biomolecular, Protein Binding

وصف الملف: application/pdf

Relation: http://hdl.handle.net/20.500.12110/paper_09618368_v13_n11_p2925_Turjanski; http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_09618368_v13_n11_p2925_Turjanski_oai

الاتاحة: https://hdl.handle.net/20.500.12110/paper_09618368_v13_n11_p2925_Turjanski
http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_09618368_v13_n11_p2925_Turjanski_oai

المؤلفون: Weht, R.O., Kohanoff, J., Estrin, D.A., Chakravarty, C.

المصدر: J Chem Phys 1998;108(21):8848-8858

وصف الملف: application/pdf

Relation: http://hdl.handle.net/20.500.12110/paper_00219606_v108_n21_p8848_Weht; http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v108_n21_p8848_Weht_oai

الاتاحة: https://hdl.handle.net/20.500.12110/paper_00219606_v108_n21_p8848_Weht
http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v108_n21_p8848_Weht_oai

المؤلفون: Estrin, D.A., Paglieri, L., Corongiu, G., Clementi, E.

المصدر: Journal of Physical Chemistry 1996;100(21):8701-8711

وصف الملف: application/pdf

Relation: http://hdl.handle.net/20.500.12110/paper_00223654_v100_n21_p8701_Estrin; http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00223654_v100_n21_p8701_Estrin_oai

الاتاحة: https://hdl.handle.net/20.500.12110/paper_00223654_v100_n21_p8701_Estrin
http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00223654_v100_n21_p8701_Estrin_oai

المؤلفون: Estarellas, C., Capece, L., Seira, C., Bidon-Chanal, A., Estrin, D.A., Luque, F.J.

المصدر: Insights into Enzyme Mechanisms and Functions from Experimental and Computational Methods ; Advances in Protein Chemistry and Structural Biology ; page 59-80 ; ISSN 1876-1623

الاتاحة: http://dx.doi.org/10.1016/bs.apcsb.2016.07.002
https://api.elsevier.com/content/article/PII:S1876162316300311?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S1876162316300311?httpAccept=text/plain

المؤلفون: Howes, B.D., Giordano, D., Boechi, L., Mucciacciaro, S., Fittipaldi, M., Estrin, D.A., Coletta, M., Verde, C., Smulevich, G.

Relation: http://hdl.handle.net/20.500.12110/paper_0094243X_v1267_n_p29_Howes

الاتاحة: https://hdl.handle.net/20.500.12110/paper_0094243X_v1267_n_p29_Howes

المؤلفون: Gonzalez Lebrero, M.C., Estrin, D.A.

Relation: http://hdl.handle.net/20.500.12110/paper_00657727_v228_n2_pPHYS_GonzalezLebrero

الاتاحة: https://hdl.handle.net/20.500.12110/paper_00657727_v228_n2_pPHYS_GonzalezLebrero

المؤلفون: Kohanoff, Jorge, Koval, S.F., Estrin, D.A., Laria, D.H., Abashkin, Y.

المصدر: Kohanoff , J , Koval , S F , Estrin , D A , Laria , D H & Abashkin , Y 2000 , ' Concertedness and solvent effects in multiple proton transfer reactions: The formic acid dimer in solution ' , Journal of Chemical Physics , vol. 112 , no. 21 , pp. 9498-9508 . https://doi.org/10.1063/1.481585

مصطلحات موضوعية: /dk/atira/pure/subjectarea/asjc/3100/3107, name=Atomic and Molecular Physics, and Optics

الاتاحة: https://pure.qub.ac.uk/en/publications/ca3c8feb-bbb7-4541-a585-3ac53b8ebcdb
https://doi.org/10.1063/1.481585
http://www.scopus.com/inward/record.url?scp=0033719502&partnerID=8YFLogxK

المؤلفون: Foglia, N.O., Morzan, U.N., Estrin, D.A., Scherlis, D.A., Lebrero, M.C.G.

Relation: http://hdl.handle.net/20.500.12110/paper_15499618_v13_n1_p77_Foglia

الاتاحة: https://hdl.handle.net/20.500.12110/paper_15499618_v13_n1_p77_Foglia

المؤلفون: Arroyo Mañez, P., Lu, C., Boechi, L., Martí, M.A., Shepherd, M., Wilson, J.L., Poole, R.K., Luque, F.J., Yeh, S.-R., Estrin, D.A.

مصطلحات موضوعية: Campylobacter jejuni, Dissociation rates, Hydrogen bonding interactions, Hydrogen bonding network, Hydrogen-bond donors, Kinetic properties, Oxygen affinity, Oxygen binding, Truncated hemoglobins, Wild-type proteins, Binding energy, Computer simulation, Dissociation, Hemoglobin, Hydrogen, Hydrogen bonds, Porphyrins, Oxygen, truncated hemoglobin, article, hydrogen bond, molecular dynamics, priority journal, Raman spectrometry, Bacterial Proteins, Glycine, Heme, Histidine, Hydrogen Bonding, Ligands

Relation: http://hdl.handle.net/20.500.12110/paper_00062960_v50_n19_p3946_ArroyoManez

الاتاحة: https://hdl.handle.net/20.500.12110/paper_00062960_v50_n19_p3946_ArroyoManez

المؤلفون: Zeida, A., Reyes, A.M., Lebrero, M.C.G., Radi, R., Trujillo, M., Estrin, D.A.

مصطلحات موضوعية: hydrogen peroxide, peroxiredoxin, thiol, thiol derivative, article, enthalpy, entropy, hybrid, hydrogen bond, kinetics, molecular mechanics, Mycobacterium tuberculosis, oxidation, quantum mechanics, reduction, simulation, catalysis, chemistry, metabolism, oxidation reduction reaction, protein secondary structure, quantum theory, Oxidation-Reduction, Peroxiredoxins, Protein Structure, Secondary, Sulfhydryl Compounds

Relation: http://hdl.handle.net/20.500.12110/paper_13597345_v50_n70_p10070_Zeida

الاتاحة: https://hdl.handle.net/20.500.12110/paper_13597345_v50_n70_p10070_Zeida

المؤلفون: Cuevasanta, E., Zeida, A., Carballal, S., Wedmann, R., Morzan, U.N., Trujillo, M., Radi, R., Estrin, D.A., Filipovic, M.R., Alvarez, B.

مصطلحات موضوعية: Free radicals, Hydrogen sulfide, Kinetics, Peroxynitrite, Persulfides, carbon dioxide, sodium dihydrogen phosphate, thiol derivative, buffer, peroxynitrous acid, sulfide, Article, chemical reaction, chemical reaction kinetics, mass spectrometry, priority journal, reaction analysis, ultraviolet spectroscopy, chemical model, chemistry, pH, thermodynamics, Buffers, Hydrogen-Ion Concentration, Models, Chemical, Sulfides

Relation: http://hdl.handle.net/20.500.12110/paper_08915849_v80_n_p93_Cuevasanta

الاتاحة: https://hdl.handle.net/20.500.12110/paper_08915849_v80_n_p93_Cuevasanta

المؤلفون: Petruk, A.A., Bartesaghi, S., Trujillo, M., Estrin, D.A., Murgida, D., Kalyanaraman, B., Marti, M.A., Radi, R.

مصطلحات موضوعية: Computer simulation, Electron transfer, Nitration, Oxidation, Tyrosyl radical, alanine, cysteine, hydrogen, phenol derivative, thiol derivative, tyrosine, water, acid base balance, amino acid sequence, article, chemical reaction kinetics, chemical structure, electron transport, hydrogen bond, molecular dynamics, physical chemistry, priority journal, protein conformation, protein modification, protein structure, proton transport, quantum mechanics, solvation, thermodynamics, Free Radicals

Relation: http://hdl.handle.net/20.500.12110/paper_00039861_v525_n1_p82_Petruk

الاتاحة: https://hdl.handle.net/20.500.12110/paper_00039861_v525_n1_p82_Petruk

المؤلفون: Bikiel, D.E., Boechi, L., Capece, L., Crespo, A., De Biase, P.M., Di Lella, S., González Lebrero, M.C., Martí, M.A., Nadra, A.D., Perissinotti, L.L., Scherlis, D.A., Estrin, D.A.

مصطلحات موضوعية: hemoprotein, ligand, article, chemical model, chemistry, computer simulation, hydrogen bond, protein conformation, quantum theory, Hemeproteins, Hydrogen Bonding, Ligands, Models, Chemical

Relation: http://hdl.handle.net/20.500.12110/paper_14639076_v8_n48_p5611_Bikiel

الاتاحة: https://hdl.handle.net/20.500.12110/paper_14639076_v8_n48_p5611_Bikiel

المؤلفون: Crespo, A., Martí, M.A., Roitberg, A.E., Amzel, L.M., Estrin, D.A.

مصطلحات موضوعية: Cytochrome P450 enzymes, Electron transfer (ET), Peptidylglycine α-hydroxylating monooxygenase (PHM), Quantum-classical (QM-MM), Activation energy, Catalysts, Computer simulation, Ground state, Hydroxylation, Positive ions, Proteins, Quantum theory, Glycerol, ascorbic acid, cytochrome P450, glycine, hydrogen, peptidylglycine alpha hydroxylating monooxygenase, proton, reactive oxygen metabolite, solvent, unclassified drug, unspecific monooxygenase, article, carboxy terminal sequence, catalysis, chemical binding, electron transport, energy, enthalpy

Relation: http://hdl.handle.net/20.500.12110/paper_00027863_v128_n39_p12817_Crespo

الاتاحة: https://hdl.handle.net/20.500.12110/paper_00027863_v128_n39_p12817_Crespo