Search Results - Efremov, R G

Dielectric-Dependent Strength of Interlipid Hydrogen Bonding in Biomembranes: Model Case Study by Efremov, R. G

“…Atomistic aspects of the structural organization, dynamics, and functioning of hydrated lipid bilayersmodel cell membranesare primarily governed by the fine…”
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Transmembrane Domains of Bitopic Proteins as a Key to Understand the Cellular Signaling (A Review) by Polyansky, A. A., Efremov, R. G.

“…This study presents in a systematic manner the key modeling results corroborated by experimental biophysical data and obtained by the authors during long-term…”
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Structural Mechanism of Ionic Conductivity of the TRPV1 Channel by Trofimov, Yu. A., Minakov, A. S., Krylov, N. A., Efremov, R. G.

“…The so-called “hydrophobic gating” is widely discussed as a putative mechanism to control water and ion conduction via ion channels. This effect can occur in…”
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Lipid-Mediated Adaptation of Proteins and Peptides in Cell Membranes by Polyansky, A. A., Efremov, R. G.

“…The paper overviews the results of computational studies of the molecular mechanisms underlying the adaptation of model cell membranes taking place during…”
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Probing the effect of membrane contents on transmembrane protein-protein interaction using solution NMR and computer simulations by Bragin, P.E., Kuznetsov, A.S., Bocharova, O.V., Volynsky, P.E., Arseniev, A.S., Efremov, R.G., Mineev, K.S.

“…The interaction between the secondary structure elements is the key process, determining the spatial structure and activity of a membrane protein…”
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The Role of the Invariant His-1069 in Folding and Function of the Wilson's Disease Protein, the Human Copper-transporting ATPase ATP7B by Tsivkovskii, Ruslan, Efremov, Roman G, Lutsenko, Svetlana

“…The copper-transporting ATPase ATP7B is essential for normal distribution of copper in human cells. Mutations in ATP7B lead to Wilson's disease, a severe…”
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Derivative of Scorpion Neurotoxin BeM9 Is Selective for Insect Voltage-Gated Sodium Channels by Chernykh, M. A., Kuldyushev, N. A., Peigneur, S., Berkut, A. A., Tytgat, J., Efremov, R. G., Vassilevski, A. A., Chugunov, A. O.

“…Scorpion α-toxins are small proteins inhibiting the inactivation of voltage-gated sodium channels. They can selectively act on either mammalian (mammal toxins)…”
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Cobra cardiotoxins: membrane interactions and pharmacological potential by Dubovskii, P V, Konshina, A G, Efremov, R G

“…Natural polycationic membrane-active peptides typically lack disulfide bonds and exhibit fusion, cell-penetrating, antimicrobial activities. They are mostly…”
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Lipid II as a Target for Novel Antibiotics: Structural and Molecular Dynamics Studies by Panina, I. S., Chugunov, A. O., Efremov, R. G.

“…The growing problem of antibiotic resistance in medicine is focusing attention on antimicrobial compounds targeting non-protein molecules, which have more…”
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Three-dimensional structure of a pH-dependent fluorescent protein WasCFP with a tryptophan based deprotonated chromophore by Pletnev, V. Z., Pletneva, N. V., Efremov, R. G., Goryacheva, E. A., Artemyev, I. V., Arkhipova, S. F., Sarkisyan, K. S., Mishin, A. S., Lukyanov, K. A., Pletnev, S. V.

“…WasCFP, a pH-dependent green fluorescent protein with a tryptophan-based chromophore (Thr65-Trp66-Gly67) in anionic state, was designed from a cyan precursor…”
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Role of the Lipid Environment in the Dimerization of Transmembrane Domains of Glycophorin A by Kuznetsov, A S, Volynsky, P E, Efremov, R G

“…An efficient computational approach is developed to quantify the free energy of a spontaneous association of the α-helices of proteins in the membrane…”
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The role of stacking interactions in complexes of proteins with adenine and Guanine fragments of ligands by Pyrkov, T V, Pyrkova, D V, Balitskaya, E D, Efremov, R G

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Ligand-specific scoring functions: improved ranking of docking solutions by Pyrkov, T.V., Priestle, J.P., Jacoby, E., Efremov, R.G.

“…Molecular docking is a powerful computational method that has been widely used in many biomolecular studies to predict geometry of a protein-ligand complex…”
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Lateral clustering of lipids in hydrated bilayers composed of dioleoylphosphatidylcholine and dipalmitoylphosphatidylcholine by Pyrkova, D. V., Tarasova, N. K., Krylov, N. A., Nolde, D. E., Efremov, R. G.

“…Investigation of lateral heterogeneities (clusters) in cell membranes is an important step toward understanding the physical processes that lead to the…”
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Prediction of the spatial structure of proteins: Emphasis on membrane targets by Chugunov, A. O, Efremov, R. G

“…Knowledge of the spatial structure of proteins is a prerequisite for both awareness of their functional mechanisms and the framework for rational drug…”
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A novel method for packing quality assessment of transmembrane alpha-helical domains in proteins by Chugunov, A O, Novoseletsky, V N, Arseniev, A S, Efremov, R G

“… The developed "membrane scoring function" will be of use for optimization of TM domain packing in theoretical models of MPs, first of all G-protein coupled receptors…”
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Peptides and proteins in membranes: what can we learn via computer simulations? by Efremov, R G, Nolde, D E, Konshina, A G, Syrtcev, N P, Arseniev, A S

“…Membrane and membrane-active peptides and proteins play a crucial role in numerous cell processes, such as signaling, ion conductance, fusion, and others. Many…”
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Molecular docking: The role of noncovalent interactions in the formation of protein-nucleotide and protein-peptide complexes by Pyrkov, T. V, Ozerov, I. V, Balitskaya, E. D, Efremov, R. G

“…Knowledge of the spatial structure of complexes formed by cellular proteins and membrane receptors with their respective ligands is an important step towards…”
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Dimeric structure of the transmembrane domain of glycophorin a in lipidic and detergent environments by Mineev, K S, Bocharov, E V, Volynsky, P E, Goncharuk, M V, Tkach, E N, Ermolyuk, Ya S, Schulga, A A, Chupin, V V, Maslennikov, I V, Efremov, R G, Arseniev, A S

“…Specific interactions between transmembrane α-helices, to a large extent, determine the biological function of integral membrane proteins upon normal…”
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Secreted Isoform of Human Lynx1 (SLURP-2): Spatial Structure and Pharmacology of Interactions with Different Types of Acetylcholine Receptors by Lyukmanova, E. N., Shulepko, M. A., Shenkarev, Z. O., Bychkov, M. L., Paramonov, A. S., Chugunov, A. O., Kulbatskii, D. S., Arvaniti, M., Dolejsi, Eva, Schaer, T., Arseniev, A. S., Efremov, R. G., Thomsen, M. S., Dolezal, V., Bertrand, D., Dolgikh, D. A., Kirpichnikov, M. P.

“…Human-secreted Ly-6/uPAR-related protein-2 (SLURP-2) regulates the growth and differentiation of epithelial cells. Previously, the auto/paracrine activity of…”
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