Dmitry A Nerukh (Dmitry Nerukh)

ResearcherID Scopus Author ID Researcher ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 18

Top Topics

Human Serum Albumin

Hyaluronic Acid

Juvenile Idiopathic Arthritis

Top Venues

The journal of physical chemistry. B

The journal of physical chemistry letters

Physical chemistry chemical physics : PCCP

Faraday discussions

This page only lists publications with an associated author ORCID identifier.

Publications

Muhammad Ikhlas Abdjan, Muhammad Shafiq, Dmitry A Nerukh, Mohammad Nur-E-Alam, Zaheer Ul Haq
Exploring the mechanism of action of spirooxindoles as a class of CDK2 inhibitors: a structure-based computational approach. Physical chemistry chemical physics : PCCP (2024)
Muhammad Ikhlas Abdjan, Muhammad Shafiq, Dmitry A Nerukh, Mohammad Nur-E-Alam, Zaheer Ul Haq
Exploring the mechanism of action of spirooxindoles as a class of CDK2 inhibitors: a structure-based computational approach. Physical chemistry chemical physics : PCCP 26 (22) (2024)
Vladimir S Farafonov, Alexander V Lebed, Dmitry A Nerukh, Nikolay O Mchedlov-Petrossyan
Estimation of Nanoparticle's Surface Electrostatic Potential in Solution Using Acid-Base Molecular Probes I: In Silico Implementation for Surfactant Micelles. The journal of physical chemistry. B (2023)
Vladimir S Farafonov, Alexander V Lebed, Dmitry A Nerukh, Nikolay O Mchedlov-Petrossyan
Estimation of Nanoparticle's Surface Electrostatic Potential in Solution Using Acid-Base Molecular Probes II: Insight from Atomistic Simulations of Micelles. The journal of physical chemistry. B (2023)
Vladimir S Farafonov, Michael Stich, Dmitry A Nerukh
Complete Virion Simulated: All-Atom Model of an MS2 Bacteriophage with Native Genome. Journal of chemical theory and computation (2023)
Vladimir S Farafonov, Alexander V Lebed, Dmitry A Nerukh, Nikolay O Mchedlov-Petrossyan
Estimation of Nanoparticle's Surface Electrostatic Potential in Solution Using Acid-Base Molecular Probes I: In Silico Implementation for Surfactant Micelles. The journal of physical chemistry. B 127 (4) (2023)
Vladimir S Farafonov, Alexander V Lebed, Dmitry A Nerukh, Nikolay O Mchedlov-Petrossyan
Estimation of Nanoparticle's Surface Electrostatic Potential in Solution Using Acid-Base Molecular Probes II: Insight from Atomistic Simulations of Micelles. The journal of physical chemistry. B 127 (4) (2023)
Natalya Vodolazkaya, Marina Nikolskaya, Anna Laguta, Vladimir Farafonov, Zita Balklava, Michael Stich, Nikolay O Mchedlov-Petrossyan, Dmitry A Nerukh
Estimation of Nanoparticle's Surface Electrostatic Potential in Solution Using Acid-Base Molecular Probes. III. Experimental Hydrophobicity/Hydrophilicity and Charge Distribution of MS2 Virus Surface. The journal of physical chemistry. B 126 (41) (2022)
Vladimir S Farafonov, Michael Stich, Dmitry A Nerukh
Reconstruction and validation of entire virus model with complete genome from mixed resolution cryo-EM density. Faraday discussions 240 (0) (2022)
Ekaterina Maximova, Eugene B Postnikov, Anastasia I Lavrova, Vladimir S Farafonov, Dmitry A Nerukh
Protein-Ligand Dissociation Rate Constant from All-Atom Simulation. The journal of physical chemistry letters 12 (43) (2021)
Vladimir V Sharoyko, Nailia R Iamalova, Sergei V Ageev, Anatolii A Meshcheriakov, Gleb O Iurev, Andrey V Petrov, Dmitry A Nerukh, Vladimir S Farafonov, Lubov V Vasina, Anastasia V Penkova, Konstantin N Semenov
In Vitro and In Silico Investigation of Water-Soluble Fullerenol C60(OH)24: Bioactivity and Biocompatibility. The journal of physical chemistry. B 125 (32) (2021)
Elvira Tarasova, Noriaki Okimoto, Shanshan Feng, Dmitry A Nerukh, Reza Khayat, Makoto Taiji
Constant pH molecular dynamics of porcine circovirus 2 capsid protein reveals a mechanism for capsid assembly. Physical chemistry chemical physics : PCCP 23 (43) (2021)
Abdelsattar O E Abdelhalim, Vladimir V Sharoyko, Sergei V Ageev, Vladimir S Farafonov, Dmitry A Nerukh, Viktor N Postnov, Andrey V Petrov, Konstantin N Semenov
Graphene Oxide of Extra High Oxidation: A Wafer for Loading Guest Molecules. The journal of physical chemistry letters 12 (41) (2021)
Yuanhao Wu, Babatunde O Okesola, Jing Xu, Ivan Korotkin, Alice Berardo, Ilaria Corridori, Francesco Luigi Pellerej di Brocchetti, Janos Kanczler, Jingyu Feng, Weiqi Li, Yejiao Shi, Vladimir S Farafonov, Yiqiang Wang, Rebecca F Thompson, Maria-Magdalena Titirci, Dmitry A Nerukh, Sergey Karabasov, Richard O C Oreffo, Jose Carlos Rodriguez-Cabello, Giovanni Vozzi, Helena S Azevedo, Nicola Maria Pugno, Wen Wang, Alvaro Mata
Disordered protein-graphene oxide co-assembly and supramolecular biofabrication of functional fluidic devices. Nature communications 11 (1) (2020)
Hina Qaiser, Maria Saeed, Dmitry A Nerukh, Zaheer Ul Haq
Structural insight into TNF-α inhibitors through combining pharmacophore-based virtual screening and molecular dynamic simulation. Journal of biomolecular structure & dynamics 39 (16) (2020)
Vladimir S Farafonov, Dmitry A Nerukh
MS2 bacteriophage capsid studied using all-atom molecular dynamics. Interface focus 9 (3) (2019)
Elvira Tarasova, Dmitry A Nerukh
All-Atom Molecular Dynamics Simulations of Whole Viruses. The journal of physical chemistry letters 9 (19) (2018)
Elvira Tarasova, Vladimir S Farafonov, Reza Khayat, Noriaki Okimoto, Teruhisa S Komatsu, Makoto Taiji, Dmitry A Nerukh
All-Atom Molecular Dynamics Simulations of Entire Virus Capsid Reveal the Role of Ion Distribution in Capsid's Stability. The journal of physical chemistry letters 8 (4) (2017)