about
Bridging from molecular simulation to biochemical networks.qPIPSA: relating enzymatic kinetic parameters and interaction fields.The interaction properties of the human Rab GTPase family--comparative analysis reveals determinants of molecular binding selectivityQuantum chemical calculations of [NiFe] hydrogenase.SYCAMORE--a systems biology computational analysis and modeling research environment.Mixed-valence nickel-iron dithiolate models of the [NiFe]-hydrogenase active site.The Molecular Basis of Polyunsaturated Fatty Acid Interactions with the Shaker Voltage-Gated Potassium ChannelCalculating enzyme kinetic parameters from protein structures.Analysis of the Glutamate Agonist LY404,039 Binding to Nonstatic Dopamine Receptor D2 Dimer Structures and Consensus Docking.Modeling and protein engineering studies of active and inactive states of human dopamine D2 receptor (D2R) and investigation of drug/receptor interactions.webPIPSA: a web server for the comparison of protein interaction properties.Design, synthesis, and biological evaluation of levoglucosenone-derived ras activation inhibitors.Rates and Routes of Electron Transfer of [NiFe]-Hydrogenase in an Enzymatic Fuel Cell.Structural modeling of the N-terminal signal-receiving domain of IκBα.Distal [FeS]-Cluster Coordination in [NiFe]-Hydrogenase Facilitates Intermolecular Electron Transfer.Design, synthesis and biological evaluation of sugar-derived Ras inhibitors.Protein-protein complex formation affects the Ni-Fe and Fe-S centers in the H2-sensing regulatory hydrogenase from Ralstonia eutropha H16.Cross-species analysis of the glycolytic pathway by comparison of molecular interaction fields.Microbial hydrogen splitting in the presence of oxygen.Isolation of a mixed valence diiron hydride: evidence for a spectator hydride in hydrogen evolution catalysis.Novel enantioselective receptors for N-protected glutamate and aspartate.A single-crystal ENDOR and density functional theory study of the oxidized states of the [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F.Recognition and stabilization of geranylgeranylated human Rab5 by the GDP Dissociation Inhibitor (GDI).A QM protein-ligand investigation of antipsychotic drugs with the dopamine D2 Receptor (D2R).A Molecular Dynamics Study of the Solution Structure, Clustering and Diffusion of Four Aqueous Alkanolamines.Binding Interactions of Dopamine and Apomorphine in D2High and D2Low States of Human Dopamine D2 Receptor Using Computational and Experimental Techniques.Intramolecular stabilization of a catalytic [FeFe]-hydrogenase mimic investigated by experiment and theory.Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?Structural Investigation of the Dopamine-2 Receptor Agonist Bromocriptine Binding to Dimeric D2HighR and D2LowR States.Accurate lattice energies of organic molecular crystals from periodic turbomole calculations.[NiFe] and [FeS] cofactors in the membrane-bound hydrogenase of Ralstonia eutropha investigated by X-ray absorption spectroscopy: insights into O(2)-tolerant H(2) cleavage.Facilitated hydride binding in an Fe-Fe hydrogenase active-site biomimic revealed by X-ray absorption spectroscopy and DFT calculations.Single crystal EPR studies of the reduced active site of [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F.Molecular Reorganization Energy as a Key Determinant of J-Band Formation in J-Aggregates of Polymethine Dyes.A theoretical study of spin states in Ni-S4 complexes and models of the [NiFe] hydrogenase active siteTargeting the NF-κB/IκBα complex via fragment-based E-Pharmacophore virtual screening and binary QSAR modelsThermochemistry of Racemic and Enantiopure Organic Crystals for Predicting Enantiomer SeparationDiversity in a simple co-crystal: racemic and kryptoracemic behaviourOrientation-selected ENDOR of the active center in Chromatium vinosum [NiFe] hydrogenase in the oxidized "ready" stateRelativistic DFT calculations of the paramagnetic intermediates of [NiFe] hydrogenase. Implications for the enzymatic mechanism
P50
Q30360767-EB96E25B-2F25-4C45-9485-60C44A202AB9Q30365015-B9DDF904-5A69-45B8-8616-9543D41D99E4Q34241725-8E3AD91F-75C8-4089-B452-FD8EFCAE01ACQ34662137-E263E542-4DA2-40F0-8A89-96787DC37452Q34776954-BC6E556C-8677-4B7C-B5AB-C2CBD4E359BAQ35784352-9A75FDE5-BC44-4F91-9397-87571A6884FFQ35890108-E70424ED-8237-4636-B8F6-2C8AB8E420E8Q37061481-55DB517D-488D-4AED-A09E-18A31B52F0E4Q38921070-1166C24D-7C95-48B8-B949-DCCE82CA5D87Q39043093-6C119083-599C-44E6-A636-F1E03E868DD9Q39785222-9D5470C7-3DAB-424A-A2EE-569A7BCBEF88Q39882242-4445C02D-0D3E-42D8-925A-47B56AFE56ADQ40687035-09A693C6-5DCE-4B13-A605-37DD8EC379DCQ41998643-618A49DB-F999-4C92-8E9F-B2EB7E3F235AQ42323217-9BE3155D-F7DE-4198-9998-901CF4EC8E74Q42809694-22FD04FD-6361-4173-9E7F-4A6E6F13226FQ43117783-1470F212-1F86-475B-B2F9-6F0631556976Q43213976-BBE7A1C8-A2BF-40AC-8E46-94CD0F7DA815Q44120866-3297F0AD-77AC-47F1-A062-DB402A5E08FFQ44140027-150818F5-F1B1-4191-879F-85D708DCA17DQ46611511-042A1E49-4375-41D3-9A76-53D2905DC532Q46808421-86F1E352-78E3-41EE-973A-E33128145161Q47609581-26841A30-A574-4D35-B582-989C5BFCA50DQ47647959-E91BD936-923C-4CAD-B268-B01BFDBF0BDEQ49987119-4AD45A3D-4358-4A3A-A968-EE7EC439901EQ51615199-0EB34B6E-5F5F-48C2-B234-1EA5DF6511C8Q51738607-931FE0BB-A862-4BE5-8D99-9A635C9B2D40Q51820687-F5EF946C-62E0-4C43-9944-D53F6DFE8F28Q52356175-DA750A15-8172-4963-8891-AA5A0A5A6FC4Q52367685-FE8AF71C-5E73-448F-8AEE-E53968FBA534Q52895144-CFDC7E89-FCCA-4194-BF10-E8740C85AAE4Q52921964-A039EE4D-0F93-48DB-8586-9B9228690B75Q52953599-3F6002ED-6558-48B2-B913-C59BF1E87067Q53649621-DF9983BF-EE9B-43A8-B565-6B78A3DB8462Q57905489-71D06D35-4091-41F1-A899-5E3D615C7A45Q58582278-1934F56D-8585-4A59-A77C-FE3B740645BDQ60488231-1BD3BC66-C5D9-484B-8E10-0D6204E3106EQ61079035-B68151BD-A247-4E87-B629-BB7FE0C4B0DFQ73167280-80A38952-686D-402F-9992-67B4FD4380E6Q74013497-2D0C7C7D-22A1-4397-8129-051DACE26C71
P50
description
hulumtues
@sq
researcher
@en
ricercatore
@it
wetenschapper
@nl
հետազոտող
@hy
name
Matthias Stein
@ast
Matthias Stein
@en
Matthias Stein
@es
Matthias Stein
@nl
Matthias Stein
@sl
type
label
Matthias Stein
@ast
Matthias Stein
@en
Matthias Stein
@es
Matthias Stein
@nl
Matthias Stein
@sl
prefLabel
Matthias Stein
@ast
Matthias Stein
@en
Matthias Stein
@es
Matthias Stein
@nl
Matthias Stein
@sl
P1053
A-2865-2011
P106
P1153
7402997232
P21
P214
236149485432893420554
P2798
P31
P3829
P496
0000-0001-7793-0052