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Analysis of the molecular determinants for furin cleavage of the spike protein S1/S2 site in defined strains of the prototype coronavirus murine hepatitis virus (MHV)

Virus research, 2024-02, Vol.340, p.199283-199283, Article 199283

2024

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Diversity of mechanisms in Ras-GAP catalysis of guanosine triphosphate hydrolysis revealed by molecular modeling

Organic & biomolecular chemistry, 2019-05, Vol.17 (19), p.4879-4891

2019

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Simulation of pH-Dependent Conformational Transitions in Membrane Proteins: The CLC-ec1 Cl−/H+ Antiporter

Molecules (Basel, Switzerland), 2021-11, Vol.26 (22), p.6956

2021

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Slow-binding inhibition of acetylcholinesterase by an alkylammonium derivative of 6-methyluracil: mechanism and possible advantages for myasthenia gravis treatment

Biochemical journal, 2016-05, Vol.473 (9), p.1225-1236

2016

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Allosteric Control of N‑Acetyl-Aspartate Hydrolysis by the Y231C and F295S Mutants of Human Aspartoacylase

Journal of chemical information and modeling, 2019-05, Vol.59 (5), p.2299-2308

2019

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Role of Protein Dimeric Interface in Allosteric Inhibition of N‑Acetyl-Aspartate Hydrolysis by Human Aspartoacylase

Journal of chemical information and modeling, 2017-08, Vol.57 (8), p.1999-2008

2017

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Three Faces of N‑Acetylaspartate: Activator, Substrate, and Inhibitor of Human Aspartoacylase

The journal of physical chemistry. B, 2017-10, Vol.121 (40), p.9389-9397

2017

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Modeling the Complete Catalytic Cycle of Aspartoacylase

The journal of physical chemistry. B, 2016-05, Vol.120 (18), p.4221-4231

2016

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The allosteric mechanism leading to an open-groove lipid conductive state of the TMEM16F scramblase

Communications biology, 2022-09, Vol.5 (1), p.990-13, Article 990

2022

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Reaction Mechanism of Guanosine Triphosphate Hydrolysis by the Vision-Related Protein Complex Arl3–RP2

The journal of physical chemistry. B, 2016-04, Vol.120 (16), p.3873-3879

2016

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Revealing the allosteric mechanism of pH-dependence in the proton-activated chloride channel

Biophysical journal, 2023-02, Vol.122 (3), p.49a-49a

2023

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Aspartoacylase: a central nervous system enzyme. Structure, catalytic activity and regulation mechanisms

Russian chemical reviews, 2019-01, Vol.88 (1), p.1-26

2019

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Role of Acetylcholinesterase in β-Amyloid Aggregation Studied by Accelerated Molecular Dynamics

BioNanoScience, 2017-06, Vol.7 (2), p.396-402

2017

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Computational Account of the First Stages in the Elevator Motion of the Human EAAT3 Glutamate Transporter

Biophysical journal, 2021-02, Vol.120 (3), p.152a-153a

2021

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Intermediates, state transitions, and ligand coupling in the dynamic mechanism of the hEAAT3 glutamate transporter

Biophysical journal, 2022-02, Vol.121 (3), p.26a-27a

2022

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Localization atomic force microscopy

Nature (London), 2021-06, Vol.594 (7863), p.385-390

2021

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Conformational transitions in BTG1 antiproliferative protein and their modulation by disease mutants

Biophysical journal, 2022-10, Vol.121 (19), p.3753-3764

2022

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Allosteric pathways of pH-sensitivity in a proton activated chloride channel

Biophysical journal, 2022-02, Vol.121 (3), p.460a-460a

2022

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Exploring the molecular mechanism of PIP2-regulated sterol transport by StARD4

Biophysical journal, 2022-02, Vol.121 (3), p.339a-339a

2022

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Deciphering the molecular mechanisms of STRA6-mediated retinol transport

Biophysical journal, 2024-02, Vol.123 (3), p.102a-102a

2024

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Adaptive Sampling using a Geometric Brownian Motion Model to Predict MD Trajectory Mobility on a Free Energy Surface

Biophysical journal, 2021-02, Vol.120 (3), p.78a-78a

2021

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A New Constant pH Method to Simultaneously Predict pH-Induced Conformational Changes and Individual PKA Values in Large Biomolecules

Biophysical journal, 2020-02, Vol.118 (3), p.180a-180a

2020

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Molecular determinants of pH sensing in the proton-activated chloride channel

Proceedings of the National Academy of Sciences - PNAS, 2022-08, Vol.119 (31), p.e2200727119

2022

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BTG1 mutation yields supercompetitive B cells primed for malignant transformation

Science (American Association for the Advancement of Science), 2023-01, Vol.379 (6629), p.eabj7412

2023

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Modeling of the glycine tripeptide cyclization in the Ser65Gly/Tyr66Gly mutant of green fluorescent protein

Mendeleev communications, 2019-03, Vol.29 (2), p.187-189

2019

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Analysis of the molecular determinants for furin cleavage of the spike protein S1/S2 site in defined strains of the prototype coronavirus murine hepatitis virus (MHV)

Diversity of mechanisms in Ras-GAP catalysis of guanosine triphosphate hydrolysis revealed by molecular modeling

Simulation of pH-Dependent Conformational Transitions in Membrane Proteins: The CLC-ec1 Cl−/H+ Antiporter

Slow-binding inhibition of acetylcholinesterase by an alkylammonium derivative of 6-methyluracil: mechanism and possible advantages for myasthenia gravis treatment

Allosteric Control of N‑Acetyl-Aspartate Hydrolysis by the Y231C and F295S Mutants of Human Aspartoacylase

Role of Protein Dimeric Interface in Allosteric Inhibition of N‑Acetyl-Aspartate Hydrolysis by Human Aspartoacylase

Three Faces of N‑Acetylaspartate: Activator, Substrate, and Inhibitor of Human Aspartoacylase

Modeling the Complete Catalytic Cycle of Aspartoacylase

The allosteric mechanism leading to an open-groove lipid conductive state of the TMEM16F scramblase

Reaction Mechanism of Guanosine Triphosphate Hydrolysis by the Vision-Related Protein Complex Arl3–RP2

Revealing the allosteric mechanism of pH-dependence in the proton-activated chloride channel

Aspartoacylase: a central nervous system enzyme. Structure, catalytic activity and regulation mechanisms

Role of Acetylcholinesterase in β-Amyloid Aggregation Studied by Accelerated Molecular Dynamics

Computational Account of the First Stages in the Elevator Motion of the Human EAAT3 Glutamate Transporter

Intermediates, state transitions, and ligand coupling in the dynamic mechanism of the hEAAT3 glutamate transporter

Localization atomic force microscopy

Conformational transitions in BTG1 antiproliferative protein and their modulation by disease mutants

Allosteric pathways of pH-sensitivity in a proton activated chloride channel

Exploring the molecular mechanism of PIP2-regulated sterol transport by StARD4

Deciphering the molecular mechanisms of STRA6-mediated retinol transport

Adaptive Sampling using a Geometric Brownian Motion Model to Predict MD Trajectory Mobility on a Free Energy Surface

A New Constant pH Method to Simultaneously Predict pH-Induced Conformational Changes and Individual PKA Values in Large Biomolecules

Molecular determinants of pH sensing in the proton-activated chloride channel

BTG1 mutation yields supercompetitive B cells primed for malignant transformation

Modeling of the glycine tripeptide cyclization in the Ser65Gly/Tyr66Gly mutant of green fluorescent protein

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