about
Mechanism of proteolysis in matrix metalloproteinase-2 revealed by QM/MM modelingGround-state structures and vertical excitations for the kindling fluorescent protein asFP595.Exploring structural and optical properties of fluorescent proteins by squeezing: modeling high-pressure effects on the mStrawberry and mCherry red fluorescent proteins.Modeling spectral tuning in monomeric teal fluorescent protein mTFP1Exploration of the zinc finger motif in controlling activity of matrix metalloproteinases.Estimating orientation factors in the FRET theory of fluorescent proteins: the TagRFP-KFP pair and beyondConformation dependence of pKa's of the chromophores from the purple asFP595 and yellow zFP538 fluorescent proteins.Mechanism of the chemical step for the guanosine triphosphate (GTP) hydrolysis catalyzed by elongation factor TuPhotoinduced Chemistry in Fluorescent Proteins: Curse or Blessing?Theoretical vibrational spectroscopy of intermediates and the reaction mechanism of the guanosine triphosphate hydrolysis by the protein complex Ras-GAP.Quantum Chemistry Calculations Provide Support to the Mechanism of the Light-Induced Structural Changes in the Flavin-Binding Photoreceptor Proteins.Triple-Decker Motif for Red-Shifted Fluorescent Protein Mutants.FLIM-FRET Imaging of Caspase-3 Activity in Live Cells Using Pair of Red Fluorescent Proteins.Three Faces of N-Acetylaspartate: Activator, Substrate, and Inhibitor of Human Aspartoacylase.All-atom structures and calcium binding sites of the bacterial photosynthetic LH1-RC core complex from Thermochromatium tepidum.Correlation between the substrate structure and the rate of acetylcholinesterase hydrolysis modeled with the combined quantum mechanical/molecular mechanical studies.Simulated 18O kinetic isotope effects in enzymatic hydrolysis of guanosine triphosphate.Photoinduced electron transfer facilitates tautomerization of the conserved signaling glutamine side chain in BLUF protein light sensors.Potential Energy Landscape of the Electronic States of the GFP Chromophore in Different Protonation Forms: Electronic Transition Energies and Conical Intersections.Quantum Chemical Benchmark Studies of the Electronic Properties of the Green Fluorescent Protein Chromophore. 1. Electronically Excited and Ionized States of the Anionic Chromophore in the Gas Phase.Modeling photoabsorption of the asFP595 chromophore.Thermal isomerization of the chromoprotein asFP595 and its kindling mutant A143G: QM/MM molecular dynamics simulations.Toward Molecular-Level Characterization of Photoinduced Decarboxylation of the Green Fluorescent Protein: Accessibility of the Charge-Transfer States.Effect of protein environment on electronically excited and ionized states of the green fluorescent protein chromophore.Unusual emitting states of the kindling fluorescent protein: appearance of the cationic chromophore in the GFP family.The effect of oxidation on the electronic structure of the green fluorescent protein chromophore.Quantum Chemical Benchmark Studies of the Electronic Properties of the Green Fluorescent Protein Chromophore: 2. Cis-Trans Isomerization in Water.A Light-Induced Reaction with Oxygen Leads to Chromophore Decomposition and Irreversible Photobleaching in GFP-Type Proteins.Opening the Arg-Glu salt bridge in myosin: computational study.Quantum chemistry behind bioimaging: insights from ab initio studies of fluorescent proteins and their chromophores.Molecular Modeling Clarifies the Mechanism of Chromophore Maturation in the Green Fluorescent Protein.Improving the Design of the Triple-Decker Motif in Red Fluorescent Proteins.QM/MM modeling the Ras-GAP catalyzed hydrolysis of guanosine triphosphate.Toward molecular mechanism of xenon anesthesia: a link to studies of xenon complexes with small aromatic molecules.An opsin shift in rhodopsin: retinal S0-S1 excitation in protein, in solution, and in the gas phase.Modeling the Transient Kinetics of the L1 Metallo-β-Lactamase.Mutants of the Flavoprotein iLOV as Prospective Red-Shifted Fluorescent Markers.Role of Protein Dimeric Interface in Allosteric Inhibition of N-Acetyl-Aspartate Hydrolysis by Human Aspartoacylase.Interaction of aromatic compounds with xenon: spectroscopic and computational characterization for the cases of p-cresol and toluene.Interaction of phenol with xenon and nitrogen: spectroscopic and computational characterization.
P50
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P50
description
investigador
@es
researcher
@en
wetenschapper
@nl
name
Alexander Nemukhin
@en
Alexander V Nemukhin
@nl
Alexander Wladimirowitsch Nemuchin
@de
Александр Владимирович Немухин
@ru
type
label
Alexander Nemukhin
@en
Alexander V Nemukhin
@nl
Alexander Wladimirowitsch Nemuchin
@de
Александр Владимирович Немухин
@ru
altLabel
Aleksandr Nemukhin
@en
Aleksandr Vladimirovich Nemukhin
@en
Alexander Nemuchin
@de
Alexander V Nemukhin
@en
prefLabel
Alexander Nemukhin
@en
Alexander V Nemukhin
@nl
Alexander Wladimirowitsch Nemuchin
@de
Александр Владимирович Немухин
@ru
P106
P21
P31
P496
0000-0002-4992-6029