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February 28, 2020
Kinetics of pH-dependent interactions between PD-1 and PD-L1 immune checkpoint proteins from molecular dynamics
Konstantin Klyukin, Vitaly Alexandrov
ACS Applied Materials & Interfaces
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May 30, 2018
Ab Initio Metadynamics Study of the VO<sub>2</sub><sup>+</sup>/VO<sup>2+</sup> Redox Reaction Mechanism at the Graphite Edge/Water Interface
Zhen Jiang, Konstantin Klyukin, Vitaly Alexandrov
Physical Chemistry Chemical Physics : PCCP
|
May 31, 2017
First-principles study of adsorption-desorption kinetics of aqueous V<sup>2+</sup>/V<sup>3+</sup> redox species on graphite in a vanadium redox flow battery
Zhen Jiang, Konstantin Klyukin, Vitaly Alexandrov
The Journal of Physical Chemistry Letters
|
March 28, 2024
Unveiling the Role of Termination Groups in Stabilizing MXenes in Contact with Water
Valentina Nesterova, Vladislav Korostelev, Konstantin Klyukin
ACS Applied Materials & Interfaces
|
May 14, 2019
Ab Initio Modeling of Transition Metal Dissolution from the LiNi<sub>0.5</sub>Mn<sub>1.5</sub>O<sub>4</sub> Cathode
Nadia N Intan, Konstantin Klyukin, Vitaly Alexandrov
The Journal of Physical Chemistry. B
|
April 18, 2019
Mechanistic Theoretical Investigation of Self-Discharge Reactions in a Vanadium Redox Flow Battery
Zhen Jiang, Konstantin Klyukin, Kaellen Miller, et al.
Physical Review Letters
|
August 18, 2018
Defect-Assisted Tunneling Electroresistance in Ferroelectric Tunnel Junctions
Konstantin Klyukin, L L Tao, Evgeny Y Tsymbal, et al.
ACS Nano
|
October 14, 2025
Defect-Driven Degradation of MXenes in Aqueous Environments and Mitigation Strategies: Insights from First-Principles
Ana-Maria Stratulat, Valentina Nesterova, Vladislav Korostelev, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
December 26, 2025
Atomistic Mechanisms of Ti<sub>3</sub>AlC<sub>2</sub> Etching: Oxidation, Surface Stability, and Selectivity
Valentina Nesterova, Ana-Maria Stratulat, Walter Malone, et al.
Nature Communications
|
July 15, 2021
An antisite defect mechanism for room temperature ferroelectricity in orthoferrites
Shuai Ning, Abinash Kumar, Konstantin Klyukin, et al.
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Search research articles
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Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
Proteins
|
February 28, 2020
Kinetics of pH-dependent interactions between PD-1 and PD-L1 immune checkpoint proteins from molecular dynamics
Konstantin Klyukin, Vitaly Alexandrov
ACS Applied Materials & Interfaces
|
May 30, 2018
Ab Initio Metadynamics Study of the VO<sub>2</sub><sup>+</sup>/VO<sup>2+</sup> Redox Reaction Mechanism at the Graphite Edge/Water Interface
Zhen Jiang, Konstantin Klyukin, Vitaly Alexandrov
Physical Chemistry Chemical Physics : PCCP
|
May 31, 2017
First-principles study of adsorption-desorption kinetics of aqueous V<sup>2+</sup>/V<sup>3+</sup> redox species on graphite in a vanadium redox flow battery
Zhen Jiang, Konstantin Klyukin, Vitaly Alexandrov
The Journal of Physical Chemistry Letters
|
March 28, 2024
Unveiling the Role of Termination Groups in Stabilizing MXenes in Contact with Water
Valentina Nesterova, Vladislav Korostelev, Konstantin Klyukin
ACS Applied Materials & Interfaces
|
May 14, 2019
Ab Initio Modeling of Transition Metal Dissolution from the LiNi<sub>0.5</sub>Mn<sub>1.5</sub>O<sub>4</sub> Cathode
Nadia N Intan, Konstantin Klyukin, Vitaly Alexandrov
The Journal of Physical Chemistry. B
|
April 18, 2019
Mechanistic Theoretical Investigation of Self-Discharge Reactions in a Vanadium Redox Flow Battery
Zhen Jiang, Konstantin Klyukin, Kaellen Miller, et al.
Physical Review Letters
|
August 18, 2018
Defect-Assisted Tunneling Electroresistance in Ferroelectric Tunnel Junctions
Konstantin Klyukin, L L Tao, Evgeny Y Tsymbal, et al.
ACS Nano
|
October 14, 2025
Defect-Driven Degradation of MXenes in Aqueous Environments and Mitigation Strategies: Insights from First-Principles
Ana-Maria Stratulat, Valentina Nesterova, Vladislav Korostelev, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
December 26, 2025
Atomistic Mechanisms of Ti<sub>3</sub>AlC<sub>2</sub> Etching: Oxidation, Surface Stability, and Selectivity
Valentina Nesterova, Ana-Maria Stratulat, Walter Malone, et al.
Nature Communications
|
July 15, 2021
An antisite defect mechanism for room temperature ferroelectricity in orthoferrites
Shuai Ning, Abinash Kumar, Konstantin Klyukin, et al.
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