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Multi-Objective Immune Algorithm for Internet of Vehicles for Data Offloading.
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- Intelligent Automation & Soft Computing, 2022, v. 34, n. 3, p. 1851, doi. 10.32604/iasc.2022.026779
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- Article
Extraction of elementary rate constants from global network analysis of E. coli central metabolism.
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- BMC Systems Biology, 2008, v. 2, p. 1, doi. 10.1186/1752-0509-2-41
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- Article
Multiscale modeling of solvation in chemical and biological nanosystems and in nanoporous materials.
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- Pure & Applied Chemistry, 2013, v. 85, n. 1, p. 159, doi. 10.1351/PAC-CON-12-06-03
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- Article
Understanding the Liquid States of Cyclic Hydrocarbons Containing N, O, and S Atoms via the 3D-RISM-KH Molecular Solvation Theory.
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- Molecules, 2022, v. 27, n. 19, p. 6563, doi. 10.3390/molecules27196563
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- Article
Molecular docking of thiamine reveals similarity in binding properties between the prion protein and other thiamine-binding proteins.
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- Journal of Molecular Modeling, 2013, v. 19, n. 12, p. 5225, doi. 10.1007/s00894-013-1979-5
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- Article
Biomolecular Simulations with the Three-Dimensional Reference Interaction Site Model with the Kovalenko-Hirata Closure Molecular Solvation Theory.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 10, p. 5061, doi. 10.3390/ijms22105061
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- Article
Self-Consistent Field Modeling of Three-Dimensional Morphologies of Branched Lipid Surfactant at Air-Water Interface.
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- Macromolecular Theory & Simulations, 2010, v. 19, n. 5, p. 228, doi. 10.1002/mats.200900076
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- Article
Macromol. Theory Simul. 5/2010.
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- Macromolecular Theory & Simulations, 2010, v. 19, n. 5, p. n/a, doi. 10.1002/mats.201090007
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- Article
Predicting PAMPA permeability using the 3D-RISM-KH theory: are we there yet?
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- Journal of Computer-Aided Molecular Design, 2021, v. 35, n. 2, p. 261, doi. 10.1007/s10822-020-00364-4
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Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptors.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 11, p. 965, doi. 10.1007/s10822-019-00253-5
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- Article
Application of the 3D-RISM-KH molecular solvation theory for DMSO as solvent.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 10, p. 905, doi. 10.1007/s10822-019-00238-4
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- 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.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 10, p. 913, doi. 10.1007/s10822-019-00239-3
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- Article
Predicting skin permeability using the 3D-RISM-KH theory based solvation energy descriptors for a diverse class of compounds.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 6, p. 605, doi. 10.1007/s10822-019-00205-z
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- Article
SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling.
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- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 11, p. 1115, doi. 10.1007/s10822-016-9947-7
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- Article
Theoretical study of volume changes associated with the helix-coil transition of an alanine-rich peptide in aqueous solution.
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- Biopolymers, 2005, v. 79, n. 2, p. 97, doi. 10.1002/bip.20337
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- Article
Theoretical study for volume changes associated with the helix-coil transition of peptides.
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- Biopolymers, 2001, v. 59, n. 7, p. 512, doi. 10.1002/1097-0282(200112)59:7<512::AID-BIP1056>3.0.CO;2-C
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Temporary Petri-nets-based method for synthesizing network models.
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- Journal of Electronic Imaging, 2022, v. 31, n. 6, p. 61805, doi. 10.1117/1.JEI.31.6.061805
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- Article
Supramolecular Synthesis of SolidState Tapes Through Molecular Facial SelfRecognition.
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- Helvetica Chimica Acta, 2009, v. 92, n. 10, p. 1963, doi. 10.1002/hlca.200900056
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Multiscale Methods Framework with the 3D-RISM-KH Molecular Solvation Theory for Supramolecular Structures, Nanomaterials, and Biomolecules: Where Are We Going?
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- Thermo, 2023, v. 3, n. 3, p. 375, doi. 10.3390/thermo3030023
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- Article
MECHANICAL INTERACTION OF THE RAIL TRANSPORT CAR AND JOINT IRREGULARITY.
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- 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
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MULTIPLE-FACTOR ANALYSIS OF THE DYNAMIC INTERACTION BETWEEN RAILROAD CARS AND JOINT IRREGULARITY.
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- 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
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- Article
Theoretical study of the partial molar volume change associated with the pressure-induced structural transition of ubiquitin.
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- Protein Science: A Publication of the Protein Society, 2007, v. 16, n. 9, p. 1927, doi. 10.1110/ps.072909007
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IMECA-BASED TECHNIQUE FOR SECURITY ASSESSMENT OF PRIVATE COMMUNICATIONS: TECHNOLOGY AND TRAINING.
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- Information & Security, 2016, v. 35, n. 1, p. 99, doi. 10.11610/isij.3505
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- Article
On variational estimates for exchange-correlation interaction obtained within super-CI approach to MCSCF approximation.
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 8, p. 1672, doi. 10.1002/qua.22007
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Thermodynamic dependences of slip length for nanofluidic flows over crystalline surfaces: Predictions of molecular theory of solvation.
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 8, p. 1666, doi. 10.1002/qua.22160
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Victimological measures to prevent violent offences for gain committed by children.
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- Cuestiones Políticas, 2020, v. 38, p. 459, doi. 10.46398/cuestpol.382e.35
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Efficient treatment of solvation shells in 3D molecular theory of solvation.
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- Journal of Computational Chemistry, 2012, v. 33, n. 17, p. 1478, doi. 10.1002/jcc.22974
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Benchmarking Free Energy Calculations in Liquid Aliphatic Ketone Solvents Using the 3D-RISM-KH Molecular Solvation Theory.
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- J: Multidisciplinary Scientific Journal, 2021, v. 4, n. 4, p. 604, doi. 10.3390/j4040044
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IMPROVING OF THE DECISIONMAKING MODEL IN THE PROCESSES OF EXTERNAL QUALITY ASSURANCE OF HIGHER EDUCATION.
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- Eastern-European Journal of Enterprise Technologies, 2022, v. 115, n. 3, p. 74, doi. 10.15587/1729-4061.2022.253351
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IMPROVING OF THE DECISION-MAKING MODEL IN THE PROCESSES OF EXTERNAL QUALITY ASSURANCE OF HIGHER EDUCATION.
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- Eastern-European Journal of Enterprise Technologies, 2022, v. 115, n. 3, p. 74, doi. 10.15587/1729-4061.2022.253351
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DEVELOPMENT OF A METHOD FOR IMPROVING STABILITY METHOD OF APPLYING DIGITAL WATERMARKS TO DIGITAL IMAGES.
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- Eastern-European Journal of Enterprise Technologies, 2021, v. 111, n. 2, p. 45, doi. 10.15587/1729-4061.2021.235802
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Cloning and high-level expression of monomeric human superoxide dismutase 1 (SOD1) and its interaction with pyrimidine analogs.
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- PLoS ONE, 2021, v. 16, n. 2, p. 1, doi. 10.1371/journal.pone.0247684
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Molecular interactions between monoclonal oligomer-specific antibody 5E3 and its amyloid beta cognates.
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- PLoS ONE, 2020, v. 15, n. 5, p. 1, doi. 10.1371/journal.pone.0232266
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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.
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- 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
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Locating missing water molecules in protein cavities by the three-dimensional reference interaction site model theory of molecular solvation.
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- Proteins, 2007, v. 66, n. 4, p. 804, doi. 10.1002/prot.21311
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Review of Reliability Assessment Methods of Drone Swarm (Fleet) and a New Importance Evaluation Based Method of Drone Swarm Structure Analysis.
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- Mathematics (2227-7390), 2023, v. 11, n. 11, p. 2551, doi. 10.3390/math11112551
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Interfacial Water and Triboelectric Charging: A Theoretical Study of the Role of Water on the PMMA/Silica Tribopair.
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- Journal of Imaging Science & Technology, 2015, v. 59, n. 4, p. 040502-1, doi. 10.2352/j.imagingsci.technol.2015.59.4.040502
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Linking the Chemistry and Physics of Electronic Charge Transfer in Insulators: Theory and Experiment.
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- Journal of Imaging Science & Technology, 2013, v. 57, n. 3, p. 1, doi. 10.2352/J.ImagingSci.Technol.2013.57.3.030401
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- Article
GEOINFORMATION MAPPING OF ANTHROPOGENICALLY TRANSFORMED LANDSCAPES OF BILA TSERKVA (UKRAINE).
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- Acta Scientiarum Polonorum. Formatio Circumiectus, 2022, v. 21, n. 1, p. 69, doi. 10.15576/ASP.FC/2022.21.1.69
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Substance P analogs devoid of key residues fail to activate human mast cells via MRGPRX2.
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- Frontiers in Immunology, 2023, p. 1, doi. 10.3389/fimmu.2023.1155740
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A molecular reconstruction approach to site-based 3D-RISM and comparison to GIST hydration thermodynamic maps in an enzyme active site.
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- PLoS ONE, 2019, v. 14, n. 7, p. 1, doi. 10.1371/journal.pone.0219473
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- Article
Extended states of a shallow donor located near a semiconductor-insulator interface.
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- 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
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Structural Water Drives Self-assembly of Organic Rosette Nanotubes and Holds Host Atoms in the Channel.
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- ChemPhysChem, 2010, v. 11, n. 2, p. 361, doi. 10.1002/cphc.200900324
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Density functional theory investigation of the effect of axial coordination and annelation on the absorption spectroscopy of nickel(II) and vanadyl porphyrins relevant to bitumen and crude oils.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 9, p. 872, doi. 10.1139/cjc-2012-0532
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- Article
Koopmans' multiconfigurational self-consistent field (MCSCF) Fukui functions and MCSCF perturbation theory.
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- Canadian Journal of Chemistry, 2013, v. 91, n. 9, p. 886, doi. 10.1139/cjc-2012-0526
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Development of additive isotropic site potential for exchange-repulsion energy, based on intermolecular perturbation theory.
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- Canadian Journal of Chemistry, 2009, v. 87, n. 12, p. 1727, doi. 10.1139/V09-131
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Response to Comment on "Density Functional Theory and 3D-RISM-KH molecular theory of solvation studies of CO<sub>2</sub> reduction on Cu-, Cu<sub>2</sub>O-, Fe-, and F<sub>e</sub>3O<sub>4</sub>-based nanocatalysts".
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- Journal of Molecular Modeling, 2022, v. 28, n. 2, p. 1, doi. 10.1007/s00894-021-05021-7
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Density functional theory and 3D-RISM-KH molecular theory of solvation studies of CO2 reduction on Cu-, Cu2O-, Fe-, and Fe3O4-based nanocatalysts.
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- Journal of Molecular Modeling, 2020, v. 26, n. 10, p. 1, doi. 10.1007/s00894-020-04529-8
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