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Docking Paradigm in Drug Design

Current topics in medicinal chemistry, 2021-01, Vol.21 (6), p.507

2021

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Novel Inhibitors of 2'- O -Methyltransferase of the SARS-CoV-2 Coronavirus

Molecules (Basel, Switzerland), 2022-04, Vol.27 (9), p.2721

2022

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New Hybrid Tetrahydropyrrolo[3,2,1- ij ]quinolin-1-ylidene-2-thioxothiazolidin-4-ones as New Inhibitors of Factor Xa and Factor XIa: Design, Synthesis, and In Silico and Experimental Evaluation

Molecules (Basel, Switzerland), 2023-05, Vol.28 (9), p.3851

2023

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Design, Synthesis, and Evaluation of New Hybrid Derivatives of 5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one as Potential Dual Inhibitors of Blood Coagulation Factors Xa and XIa

Molecules (Basel, Switzerland), 2024-01, Vol.29 (2), p.373

2024

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New Chemicals Suppressing SARS-CoV-2 Replication in Cell Culture

Molecules (Basel, Switzerland), 2022-09, Vol.27 (17), p.5732

2022

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Chemical Adjustment of Fibrinolysis

Pharmaceuticals (Basel, Switzerland), 2024-01, Vol.17 (1), p.92

2024

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New Blood Coagulation Factor XIIa Inhibitors: Molecular Modeling, Synthesis, and Experimental Confirmation

Molecules (Basel, Switzerland), 2022-02, Vol.27 (4), p.1234

2022

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Synthesis, Docking, and In Vitro Anticoagulant Activity Assay of Hybrid Derivatives of Pyrrolo[3,2,1- ij ]Quinolin-2(1 H )-one as New Inhibitors of Factor Xa and Factor XIa

Molecules (Basel, Switzerland), 2020-04, Vol.25 (8), p.1889

2020

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Quantum-Chemical Quasi-Docking for Molecular Dynamics Calculations

Nanomaterials (Basel, Switzerland), 2022-01, Vol.12 (2), p.274

2022

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New generation of docking programs: Supercomputer validation of force fields and quantum-chemical methods for docking

Journal of molecular graphics & modelling, 2017-11, Vol.78, p.139-147

2017

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Development of docking programs for Lomonosov supercomputer

Journal of the Turkish Chemical Society, Section A, Chemistry, 2020, Vol.7 (1), p.259-276

2020

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Effect Study of Thermal Cutting Methods on the Edge’s Microstructure of High-Strength Steel Grade S700MC

Materials science forum, 2019-02, Vol.946, p.928-933

2019

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Churching of Society from Within and Not from Without: Reception of Sergius Bulgakov’s Ideas in Contemporary Political Theology

Vestnik Svâto-Filaretovskogo instituta, 2024-11 (48), p.51-74

Ilin Ivan Yu

2024

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Towards Religious Metaphysics: Overcoming Nietzschean Nihilism in Sergei Bulgakov’s Philosophy

Voprosy filosofii, 2021 (10), p.130-137

Ilin, Ivan Yu

2021

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Design, Synthesis, and Evaluation of New Hybrid Derivatives of 5,6-Dihydro-4IH/I-pyrrolo[3,2,1-Iij/I]quinolin-2-one as Potential Dual Inhibitors of Blood Coagulation Factors Xa and XIa

Molecules (Basel, Switzerland), 2024-01, Vol.29 (2)

2024

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Experimentally Validated Novel Factor XIIa Inhibitors Identified by Docking and Quantum Chemical Post‐processing

Molecular informatics, 2023-02, Vol.42 (2), p.e2200205-n/a

2023

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New factor Xa inhibitors based on 1,2,3,4-tetrahydroquinoline developed by molecular modelling

Journal of molecular graphics & modelling, 2019-06, Vol.89, p.215-224

2019

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Supercomputer Search for Coagulation Factor XIIa Inhibitors in the Chinese National Compound Library

Supercomputing, p.245-258

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Design, Synthesis, and Evaluation of New Hybrid Derivatives of 5,6-Dihydro-4 H -pyrrolo[3,2,1- ij ]quinolin-2(1 H )-one as Potential Dual Inhibitors of Blood Coagulation Factors Xa and XIa

Molecules (Basel, Switzerland), 2024-01, Vol.29 (2)

2024

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Search for Approaches to Supercomputer Quantum-Chemical Docking

Supercomputing, p.363-378

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In Search of Non-covalent Inhibitors of SARS-CoV-2 Main Protease: Computer Aided Drug Design Using Docking and Quantum Chemistry

Supercomputing frontiers and innovations, 2020-09, Vol.7 (3)

2020

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Application of Docking and Quantum Chemistry to the Search for Inhibitors of SARS-CoV-2 Main Protease

Supercomputing, p.17-28

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The Effect of Entropy Order in Image Aalignment by Maximum Mutual Information Criterion

2023 IX International Conference on Information Technology and Nanotechnology (ITNT), 2023, p.1-6

2023

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Transition to the Framework of the Digital Economy: Concepts and Trends

Modern Global Economic System: Evolutional Development vs. Revolutionary Leap, p.1017-1026

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Docking Paradigm in Drug Design

Novel Inhibitors of 2'- O -Methyltransferase of the SARS-CoV-2 Coronavirus

New Hybrid Tetrahydropyrrolo[3,2,1- ij ]quinolin-1-ylidene-2-thioxothiazolidin-4-ones as New Inhibitors of Factor Xa and Factor XIa: Design, Synthesis, and In Silico and Experimental Evaluation

Design, Synthesis, and Evaluation of New Hybrid Derivatives of 5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one as Potential Dual Inhibitors of Blood Coagulation Factors Xa and XIa

New Chemicals Suppressing SARS-CoV-2 Replication in Cell Culture

Chemical Adjustment of Fibrinolysis

New Blood Coagulation Factor XIIa Inhibitors: Molecular Modeling, Synthesis, and Experimental Confirmation

Synthesis, Docking, and In Vitro Anticoagulant Activity Assay of Hybrid Derivatives of Pyrrolo[3,2,1- ij ]Quinolin-2(1 H )-one as New Inhibitors of Factor Xa and Factor XIa

Quantum-Chemical Quasi-Docking for Molecular Dynamics Calculations

New generation of docking programs: Supercomputer validation of force fields and quantum-chemical methods for docking

Development of docking programs for Lomonosov supercomputer

Effect Study of Thermal Cutting Methods on the Edge’s Microstructure of High-Strength Steel Grade S700MC

Churching of Society from Within and Not from Without: Reception of Sergius Bulgakov’s Ideas in Contemporary Political Theology

Towards Religious Metaphysics: Overcoming Nietzschean Nihilism in Sergei Bulgakov’s Philosophy

Design, Synthesis, and Evaluation of New Hybrid Derivatives of 5,6-Dihydro-4IH/I-pyrrolo[3,2,1-Iij/I]quinolin-2-one as Potential Dual Inhibitors of Blood Coagulation Factors Xa and XIa

Experimentally Validated Novel Factor XIIa Inhibitors Identified by Docking and Quantum Chemical Post‐processing

New factor Xa inhibitors based on 1,2,3,4-tetrahydroquinoline developed by molecular modelling

Building the House of Wisdom: Sergii Bulgakov and Contemporary Theology: New Approaches and Interpretations

Supercomputer Search for Coagulation Factor XIIa Inhibitors in the Chinese National Compound Library

Design, Synthesis, and Evaluation of New Hybrid Derivatives of 5,6-Dihydro-4 H -pyrrolo[3,2,1- ij ]quinolin-2(1 H )-one as Potential Dual Inhibitors of Blood Coagulation Factors Xa and XIa

Search for Approaches to Supercomputer Quantum-Chemical Docking

In Search of Non-covalent Inhibitors of SARS-CoV-2 Main Protease: Computer Aided Drug Design Using Docking and Quantum Chemistry

Application of Docking and Quantum Chemistry to the Search for Inhibitors of SARS-CoV-2 Main Protease

The Effect of Entropy Order in Image Aalignment by Maximum Mutual Information Criterion

Transition to the Framework of the Digital Economy: Concepts and Trends

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