Works by Kovalenko, Andriy

Results: 58

Density profiles of a model of dimerizing hard spheres in contact with a crystalline surface: application of Wertheim's theory of association.

Published in:

Molecular Physics, 1996, v. 89, n. 6, p. 1765, doi. 10.1080/00268979609482573

By:

Kovalenko, Andriy;
Trokhymchuk, Andrij;
Pizio, Orest;
Henderson, Douglas

Publication type:

Article

IMECA-BASED TECHNIQUE FOR SECURITY ASSESSMENT OF PRIVATE COMMUNICATIONS: TECHNOLOGY AND TRAINING.

Published in:

Information & Security, 2016, v. 35, n. 1, p. 99, doi. 10.11610/isij.3505

By:

ANDROULIDAKIS, Iosif;
KHARCHENKO, Vyacheslav;
KOVALENKO, Andriy

Publication type:

Article

Solution of three-dimensional reference interaction site model and hypernetted chain equations for simple point charge water by modified method of direct inversion in iterative subspace.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 9, p. 928, doi. 10.1002/(SICI)1096-987X(19990715)20:9<928::AID-JCC4>3.0.CO;2-X

By:

Kovalenko, Andriy;
Ten-no, Seiichiro;
Hirata, Fumio

Publication type:

Article

Self-Consistent Field Modeling of Three-Dimensional Morphologies of Branched Lipid Surfactant at Air-Water Interface.

Published in:

Macromolecular Theory & Simulations, 2010, v. 19, n. 5, p. 228, doi. 10.1002/mats.200900076

By:

Santo, Kolattukudy Poulose;
Kovalenko, Andriy;
Stepanova, Maria

Publication type:

Article

Macromol. Theory Simul. 5/2010.

Published in:

Macromolecular Theory & Simulations, 2010, v. 19, n. 5, p. n/a, doi. 10.1002/mats.201090007

By:

Santo, Kolattukudy Poulose;
Kovalenko, Andriy;
Stepanova, Maria

Publication type:

Article

Theoretical study of volume changes associated with the helix-coil transition of an alanine-rich peptide in aqueous solution.

Published in:

Biopolymers, 2005, v. 79, n. 2, p. 97, doi. 10.1002/bip.20337

By:

Imai, Takashi;
Takekiyo, Takahiro;
Kovalenko, Andriy;
Hirata, Fumio;
Kato, Minoru;
Taniguchi, Yoshihiro

Publication type:

Article

Theoretical study for volume changes associated with the helix-coil transition of peptides.

Published in:

Biopolymers, 2001, v. 59, n. 7, p. 512, doi. 10.1002/1097-0282(200112)59:7<512::AID-BIP1056>3.0.CO;2-C

By:

Imai, Takashi;
Harano, Yuichi;
Kovalenko, Andriy;
Hirata, Fumio

Publication type:

Article

Supramolecular Synthesis of SolidState Tapes Through Molecular Facial SelfRecognition.

Published in:

Helvetica Chimica Acta, 2009, v. 92, n. 10, p. 1963, doi. 10.1002/hlca.200900056

By:

Gabor Borzsonyi;
MartinsS. Oderinde;
RachelL. Beingessner;
BoLiang Deng;
Takeshi Yamazaki;
Robert McDonald;
Andriy Kovalenko;
Hicham Fenniri

Publication type:

Article

MECHANICAL INTERACTION OF THE RAIL TRANSPORT CAR AND JOINT IRREGULARITY.

Published in:

Scientific Journal of Silesian University of Technology. Series Transport / Zeszyty Naukowe Politechniki Slaskiej. Seria Transport, 2021, v. 113, p. 173, doi. 10.20858/sjsutst.2021.113.14

By:

SHPACHUK, Vladimir;
CHUPRYNIN, Aleksandr;
SUPRUN, Tatiana;
KOVALENKO, Andriy

Publication type:

Article

MULTIPLE-FACTOR ANALYSIS OF THE DYNAMIC INTERACTION BETWEEN RAILROAD CARS AND JOINT IRREGULARITY.

Published in:

Scientific Journal of Silesian University of Technology. Series Transport / Zeszyty Naukowe Politechniki Slaskiej. Seria Transport, 2018, v. 99, p. 183, doi. 10.20858/sjsutst.2018.99.17

By:

SHPACHUK, Vladimir;
CHUPRYNIN, Aleksandr;
SUPRUN, Tatiana;
KOVALENKO, Andriy

Publication type:

Article

Response to Comment on "Density Functional Theory and 3D-RISM-KH molecular theory of solvation studies of CO2 reduction on Cu-, Cu2O-, Fe-, and Fe3O4-based nanocatalysts".

Published in:

Journal of Molecular Modeling, 2022, v. 28, n. 2, p. 1, doi. 10.1007/s00894-021-05021-7

By:

Kovalenko, Andriy;
Neburchilov, Vladimir

Publication type:

Article

Density functional theory and 3D-RISM-KH molecular theory of solvation studies of CO2 reduction on Cu-, Cu2O-, Fe-, and Fe3O4-based nanocatalysts.

Published in:

Journal of Molecular Modeling, 2020, v. 26, n. 10, p. 1, doi. 10.1007/s00894-020-04529-8

By:

Kovalenko, Andriy;
Neburchilov, Vladimir

Publication type:

Article

Molecular docking of thiamine reveals similarity in binding properties between the prion protein and other thiamine-binding proteins.

Published in:

Journal of Molecular Modeling, 2013, v. 19, n. 12, p. 5225, doi. 10.1007/s00894-013-1979-5

By:

Pagadala, Nataraj S.;
Bjorndahl, Trent C.;
Blinov, Nikolay;
Kovalenko, Andriy;
Wishart, David S.

Publication type:

Article

Review of Reliability Assessment Methods of Drone Swarm (Fleet) and a New Importance Evaluation Based Method of Drone Swarm Structure Analysis.

Published in:

Mathematics (2227-7390), 2023, v. 11, n. 11, p. 2551, doi. 10.3390/math11112551

By:

Zaitseva, Elena;
Levashenko, Vitaly;
Mukhamediev, Ravil;
Brinzei, Nicolae;
Kovalenko, Andriy;
Symagulov, Adilkhan

Publication type:

Article

Extraction of elementary rate constants from global network analysis of E. coli central metabolism.

Published in:

BMC Systems Biology, 2008, v. 2, p. 1, doi. 10.1186/1752-0509-2-41

By:

Jiao Zhao;
Ridgway, Douglas;
Broderick, Gordon;
Kovalenko, Andriy;
Ellison, Michael

Publication type:

Article

Locating missing water molecules in protein cavities by the three-dimensional reference interaction site model theory of molecular solvation.

Published in:

Proteins, 2007, v. 66, n. 4, p. 804, doi. 10.1002/prot.21311

By:

Imai, Takashi;
Hiraoka, Ryusuke;
Kovalenko, Andriy;
Hirata, Fumio

Publication type:

Article

Temporary Petri-nets-based method for synthesizing network models.

Published in:

Journal of Electronic Imaging, 2022, v. 31, n. 6, p. 61805, doi. 10.1117/1.JEI.31.6.061805

By:

Mohammed, Amin Salih;
Kovalenko, Andriy;
Kuchuk, Nina

Publication type:

Article

Multiscale Methods Framework with the 3D-RISM-KH Molecular Solvation Theory for Supramolecular Structures, Nanomaterials, and Biomolecules: Where Are We Going?

Published in:

Thermo, 2023, v. 3, n. 3, p. 375, doi. 10.3390/thermo3030023

By:

Roy, Dipankar;
Kovalenko, Andriy

Publication type:

Article

Generalised canonical–isokinetic ensemble: speeding up multiscale molecular dynamics and coupling with 3D molecular theory of solvation.

Published in:

Molecular Simulation, 2013, v. 39, n. 1, p. 25, doi. 10.1080/08927022.2012.700486

By:

Omelyan, Igor;
Kovalenko, Andriy

Publication type:

Article

3D-RISM-KH approach for biomolecular modelling at nanoscale: thermodynamics of fibril formation and beyond.

Published in:

Molecular Simulation, 2011, v. 37, n. 8, p. 718, doi. 10.1080/08927022.2010.544306

By:

Blinov, Nikolay;
Dorosh, Lyudmyla;
Wishart, David;
Kovalenko, Andriy

Publication type:

Article

Modelling of bitumen fragment adsorption on Cu+ and Ag+ exchanged zeolite nanoparticles.

Published in:

Molecular Simulation, 2008, v. 34, n. 10-15, p. 943, doi. 10.1080/08927020802101742

By:

Stoyanov, Stanislav R.;
Gusarov, Sergey;
Kovalenko, Andriy

Publication type:

Article

Multiscale modelling of asphaltene disaggregation.

Published in:

Molecular Simulation, 2008, v. 34, n. 10-15, p. 953, doi. 10.1080/08927020802411711

By:

Stoyanov, Stanislav R.;
Gusarov, Sergey;
Kovalenko, Andriy

Publication type:

Article

Comparative Reliability Analysis of Unmanned Aerial Vehicle Swarm Based on Mathematical Models of Binary-State and Multi-State Systems.

Published in:

Electronics (2079-9292), 2024, v. 13, n. 22, p. 4509, doi. 10.3390/electronics13224509

By:

Zaitseva, Elena;
Mukhamediev, Ravil;
Levashenko, Vitaly;
Kovalenko, Andriy;
Kvassay, Miroslav;
Kuchin, Yan;
Symagulov, Adilkhan;
Oksenenko, Alexey;
Sultanova, Zamzagul;
Zhaxybayev, Darkhan

Publication type:

Article

IMPROVING OF THE DECISIONMAKING MODEL IN THE PROCESSES OF EXTERNAL QUALITY ASSURANCE OF HIGHER EDUCATION.

Published in:

Eastern-European Journal of Enterprise Technologies, 2022, v. 115, n. 3, p. 74, doi. 10.15587/1729-4061.2022.253351

By:

Fesenko, Tetiana;
Ruban, Igor;
Karpenko, Kateryna;
Fesenko, Galyna;
Kovalenko, Andriy;
Yakunin, Anatolii;
Fesenko, Hryhorii

Publication type:

Article

IMPROVING OF THE DECISION-MAKING MODEL IN THE PROCESSES OF EXTERNAL QUALITY ASSURANCE OF HIGHER EDUCATION.

Published in:

Eastern-European Journal of Enterprise Technologies, 2022, v. 115, n. 3, p. 74, doi. 10.15587/1729-4061.2022.253351

By:

Fesenko, Tetiana;
Ruban, Igor;
Karpenko, Kateryna;
Fesenko, Galyna;
Kovalenko, Andriy;
Yakunin, Anatolii;
Fesenko, Hryhorii

Publication type:

Article

DEVELOPMENT OF A METHOD FOR IMPROVING STABILITY METHOD OF APPLYING DIGITAL WATERMARKS TO DIGITAL IMAGES.

Published in:

Eastern-European Journal of Enterprise Technologies, 2021, v. 111, n. 2, p. 45, doi. 10.15587/1729-4061.2021.235802

By:

Makoveichuk, Oleksandr;
Ruban, Igor;
Bolohova, Nataliia;
Kovalenko, Andriy;
Martovytskyi, Vitalii;
Filimonchuk, Tetiana

Publication type:

Article

Development of additive isotropic site potential for exchange-repulsion energy, based on intermolecular perturbation theory.

Published in:

Canadian Journal of Chemistry, 2009, v. 87, n. 12, p. 1727, doi. 10.1139/V09-131

By:

Yokogawa, Daisuke;
Sato, Hirofumi;
Gusarov, Sergey;
Kovalenko, Andriy

Publication type:

Article

Understanding the Liquid States of Cyclic Hydrocarbons Containing N, O, and S Atoms via the 3D-RISM-KH Molecular Solvation Theory.

Published in:

Molecules, 2022, v. 27, n. 19, p. 6563, doi. 10.3390/molecules27196563

By:

Roy, Dipankar;
Kovalenko, Andriy

Publication type:

Article

Interfacial Water and Triboelectric Charging: A Theoretical Study of the Role of Water on the PMMA/Silica Tribopair.

Published in:

Journal of Imaging Science & Technology, 2015, v. 59, n. 4, p. 040502-1, doi. 10.2352/j.imagingsci.technol.2015.59.4.040502

By:

Qingbin Li;
Gusarov, Sergey;
Kovalenko, Andriy;
Veregin, Richard P. N.

Publication type:

Article

Linking the Chemistry and Physics of Electronic Charge Transfer in Insulators: Theory and Experiment.

Published in:

Journal of Imaging Science & Technology, 2013, v. 57, n. 3, p. 1, doi. 10.2352/J.ImagingSci.Technol.2013.57.3.030401

By:

Veregin, Richard P. N.;
Hawkins, Michael S.;
Li, Qingbin;
Gusarov, Sergey;
Kovalenko, Andriy

Publication type:

Article

Efficient treatment of solvation shells in 3D molecular theory of solvation.

Published in:

Journal of Computational Chemistry, 2012, v. 33, n. 17, p. 1478, doi. 10.1002/jcc.22974

By:

Gusarov, Sergey;
Pujari, Bhalchandra S.;
Kovalenko, Andriy

Publication type:

Article

Structural Water Drives Self-assembly of Organic Rosette Nanotubes and Holds Host Atoms in the Channel.

Published in:

ChemPhysChem, 2010, v. 11, n. 2, p. 361, doi. 10.1002/cphc.200900324

By:

Yamazaki, Takeshi;
Fenniri, Hicham;
Kovalenko, Andriy

Publication type:

Article

Predicting PAMPA permeability using the 3D-RISM-KH theory: are we there yet?

Published in:

Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 2, p. 261, doi. 10.1007/s10822-020-00364-4

By:

Roy, Dipankar;
Dutta, Devjyoti;
Wishart, David S.;
Kovalenko, Andriy

Publication type:

Article

Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptors.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 11, p. 965, doi. 10.1007/s10822-019-00253-5

By:

Hinge, Vijaya Kumar;
Roy, Dipankar;
Kovalenko, Andriy

Publication type:

Article

The role of hydration effects in 5-fluorouridine binding to SOD1: insight from a new 3D-RISM-KH based protocol for including structural water in docking simulations.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 10, p. 913, doi. 10.1007/s10822-019-00239-3

By:

Hinge, Vijaya Kumar;
Blinov, Nikolay;
Roy, Dipankar;
Wishart, David S.;
Kovalenko, Andriy

Publication type:

Article

Application of the 3D-RISM-KH molecular solvation theory for DMSO as solvent.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 10, p. 905, doi. 10.1007/s10822-019-00238-4

By:

Roy, Dipankar;
Kovalenko, Andriy

Publication type:

Article

Predicting skin permeability using the 3D-RISM-KH theory based solvation energy descriptors for a diverse class of compounds.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 6, p. 605, doi. 10.1007/s10822-019-00205-z

By:

Hinge, Vijaya Kumar;
Roy, Dipankar;
Kovalenko, Andriy

Publication type:

Article

SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling.

Published in:

Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 11, p. 1115, doi. 10.1007/s10822-016-9947-7

By:

Blinov, Nikolay;
Kovalenko, Andriy;
Luchko, Tyler;
Limon, Garrett;
Joyce, Kevin

Publication type:

Article

Multiscale modeling of solvation in chemical and biological nanosystems and in nanoporous materials.

Published in:

Pure & Applied Chemistry, 2013, v. 85, n. 1, p. 159, doi. 10.1351/PAC-CON-12-06-03

By:

Kovalenko, Andriy

Publication type:

Article

Benchmarking Free Energy Calculations in Liquid Aliphatic Ketone Solvents Using the 3D-RISM-KH Molecular Solvation Theory.

Published in:

J: Multidisciplinary Scientific Journal, 2021, v. 4, n. 4, p. 604, doi. 10.3390/j4040044

By:

Roy, Dipankar;
Kovalenko, Andriy

Publication type:

Article

Extended states of a shallow donor located near a semiconductor-insulator interface.

Published in:

International Journal of Quantum Chemistry, 1998, v. 66, n. 6, p. 435, doi. 10.1002/(SICI)1097-461X(1998)66:6<435::AID-QUA5>3.0.CO;2-W

By:

Kovalenko, Andriy

Publication type:

Article

Multi-Objective Immune Algorithm for Internet of Vehicles for Data Offloading.

Published in:

Intelligent Automation & Soft Computing, 2022, v. 34, n. 3, p. 1851, doi. 10.32604/iasc.2022.026779

By:

Gomathi, B.;
Suganthi, S. T.;
Prabhu, T. N.;
Kovalenko, Andriy

Publication type:

Article

P.216: Multiscale modeling platform for optimization of molecular recognition and translocation of antiprion therapeutic agents.

Published in:

Prion, 2014, v. 8, p. 128

By:

Kovalenko, Andriy;
Cashman, Neil R.;
Blinov, Nikolay

Publication type:

Article

P.197: Role of desolvation and hydrophobicity in early stages of formation of toxic Aβ-oligomers.

Published in:

Prion, 2014, v. 8, p. 118

By:

Blinov, Nikolay;
Cashman, Neil R.;
Kovalenko, Andriy

Publication type:

Article

Victimological measures to prevent violent offences for gain committed by children.

Published in:

Cuestiones Políticas, 2020, v. 38, p. 459, doi. 10.46398/cuestpol.382e.35

By:

Shablystyi, Volodymyr;
Kovalenko, Andriy;
Hetman, Anastasiia;
Kvasha, Roman

Publication type:

Article

GEOINFORMATION MAPPING OF ANTHROPOGENICALLY TRANSFORMED LANDSCAPES OF BILA TSERKVA (UKRAINE).

Published in:

Acta Scientiarum Polonorum. Formatio Circumiectus, 2022, v. 21, n. 1, p. 69, doi. 10.15576/ASP.FC/2022.21.1.69

By:

Belenok, Vadym;
Hebryn-Baidy, Liliia;
Belousova, Nataliia;
Zavarika, Halyna;
Sakal, Oksana;
Kovalenko, Andriy

Publication type:

Article

Molecular interactions between monoclonal oligomer-specific antibody 5E3 and its amyloid beta cognates.

Published in:

PLoS ONE, 2020, v. 15, n. 5, p. 1, doi. 10.1371/journal.pone.0232266

By:

Khorvash, Massih;
Blinov, Nick;
Ladner-Keay, Carol;
Lu, Jie;
Silverman, Judith M.;
Gibbs, Ebrima;
Wang, Yu Tian;
Kovalenko, Andriy;
Wishart, David;
Cashman, Neil R.

Publication type:

Article

A molecular reconstruction approach to site-based 3D-RISM and comparison to GIST hydration thermodynamic maps in an enzyme active site.

Published in:

PLoS ONE, 2019, v. 14, n. 7, p. 1, doi. 10.1371/journal.pone.0219473

By:

Nguyen, Crystal;
Yamazaki, Takeshi;
Kovalenko, Andriy;
Case, David A.;
Gilson, Michael K.;
Kurtzman, Tom;
Luchko, Tyler

Publication type:

Article

Biomolecular Simulations with the Three-Dimensional Reference Interaction Site Model with the Kovalenko-Hirata Closure Molecular Solvation Theory.

Published in:

International Journal of Molecular Sciences, 2021, v. 22, n. 10, p. 5061, doi. 10.3390/ijms22105061

By:

Roy, Dipankar;
Kovalenko, Andriy;
Borówko, Małgorzata

Publication type:

Article

Seeking Corporate Legitimacy in Times of War.

Published in:

Journal of Public Policy & Marketing, 2025, v. 44, n. 1, p. 81, doi. 10.1177/07439156241246729

By:

Kovalenko, Andriy

Publication type:

Article