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article
Computer Simulation
9
oxygen
8
Models, Molecular
7
Nitric Oxide
7
Oxygen
7
ligand binding
7
unclassified drug
7
Protein Structure, Tertiary
6
chemistry
6
molecular dynamics
6
Crystallography, X-Ray
5
Ligands
5
Mycobacterium tuberculosis
5
Oxidation-Reduction
5
controlled study
5
nonhuman
5
priority journal
5
Animals
4
Bacterial Proteins
4
Binding Sites
4
Humans
4
Protein Conformation
4
Proteins
4
Quantum Theory
4
computer simulation
4
conformational transition
4
detoxification
4
heme
4
isoleucine
4
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1“... at normal and high pressure. The results show that the main effect of high pressure is to reduce the protein...”
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2“... histidine bond in the so-called 6c-NO to 5c-NO transition. The main breakthrough in the understanding of sGC...”
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3“... that the BC of Fe(II) porphyrins is mainly decreased for the diatomic ligands, when both donor or withdrawing...”
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4“... sulfohydroxamic acid) seems to be the main pathway for MnIIITEPyP. In the presence of oxygen, the product Mn...”
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5por Capece, L., Boechi, L., Perissinotti, L.L., Arroyo-Mañez, P., Bikiel, D.E., Smulevich, G., Marti, M.A., Estrin, D.A.“... modulate protein-ligand binding. The review presents mainly results derived from our previous works...”
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6“..., generating melatonin as the main organic product (k = (3.7 ± 1.1) × 10-5 s-1, Tris-HCl (0.2 M) buffer, pH 7.4...”
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7“... are mainly due to an active-site arrangement, which establishes a complex hydrogen bond network activating...”
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8“... distant sites together. We extensively analyze the trimers and tetramers conformations and found two main...”
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9por Oliveira, A., Singh, S., Bidon-Chanal, A., Forti, F., Martí, M.A., Boechi, L., Estrin, D.A., Dikshit, K.L., Luque, F.J.“... cavity. While oxygen migrates mainly by the short path, a ligand-induced conformational change regulates...”
Publicado 2012
Artículo publishedVersion -
10por Oliveira, A., Singh, S., Bidon-Chanal, A., Forti, F., Martí, M.A., Boechi, L., Estrin, D.A., Dikshit, K.L., Luque, F.J.“... cavity. While oxygen migrates mainly by the short path, a ligand-induced conformational change regulates...”
Publicado 2012
Artículo publishedVersion -
11por Oliveira, A., Singh, S., Bidon-Chanal, A., Forti, F., Martí, M.A., Boechi, L., Estrin, D.A., Dikshit, K.L., Luque, F.J.“... cavity. While oxygen migrates mainly by the short path, a ligand-induced conformational change regulates...”
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12por Crespo, A., Martí, M.A., Kalko, S.G., Morreale, A., Orozco, M., Gelpi, J.L., Luque, F.J., Estrin, D.A.“... to identify Phe62 as the gate of the main channel for ligand diffusion to the active site. Moreover...”
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13“...-molecule inhibitors of IDO are currently utilized in cancer therapy. One of the main concerns...”
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14“... into two main contributions: one from π-polarization of β-sheet amide groups and the other from rotation...”
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15por Di Salvo, F., Escola, N., Scherlis, D.A., Estrin, D.A., Bondía, C., Murgida, D., Ramallo-López, J.M., Requejo, F.G., Shimon, L., Doctorovich, F.“... mainly localized on a metal-centered orbital, and the other half on an NO-based orbital. The electronic...”
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