Vladimir A. Palyulin
Moscow, MOW 119991, Russian Federation
Last Updated: 09/26/2026
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Found 92 publications
Towards selecting the virtual series of molecules using the central fragment via R-FBDD at the early stages of drug discovery.
Journal: Molecular diversity
Published: April 07, 2026
Structural repair of mechanical defects in the Mycobacterium tuberculosis outer membrane. A molecular dynamics study.
Journal: Journal of molecular graphics & modelling
Published: February 18, 2026
Synthesis, biological evaluation, and in silico studies of pyridoxal-amiridine hybrids as multitargeting anti-Alzheimer's disease agents.
Journal: European journal of medicinal chemistry
Published: October 18, 2025
Homology modeling of the orthoflavivirus NS1 protein for virtual screening of potential ligands.
Journal: Biomeditsinskaia khimiia
Published: December 24, 2024
Design of New Daunorubicin Derivatives with High Cytotoxic Potential.
Journal: International journal of molecular sciences
Published: December 11, 2024
Conjugates of amiridine and salicylic derivatives as promising multifunctional CNS agents for potential treatment of Alzheimer's disease.
Journal: Archiv der Pharmazie
Published: October 18, 2024
Temperature-Induced Restructuring of Mycolic Acid Bilayers Modeling the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study.
Journal: Molecules (Basel, Switzerland)
Published: January 02, 2024
Do electrostatic interactions make a difference in physics-based AutoDock4 scoring function?
Journal: Journal of computational chemistry
Published: December 28, 2023
Free Energy Barriers for Passive Drug Transport through the Mycobacterium tuberculosis Outer Membrane: A Molecular Dynamics Study.
Journal: International journal of molecular sciences
Published: December 05, 2023
Combining Experimental and Computational Methods to Produce Conjugates of Anticholinesterase and Antioxidant Pharmacophores with Linker Chemistries Affecting Biological Activities Related to Treatment of Alzheimer's Disease.
Journal: Molecules (Basel, Switzerland)
Published: November 01, 2023
Ensemble docking based virtual screening of SARS-CoV-2 main protease inhibitors.
Journal: Molecular informatics
Published: October 16, 2023
5-Nitroisoxazoles in SNAr Reactions: A Novel Chemo- and Regioselective Approach to Isoxazole-Based Bivalent Ligands of AMPA Receptors.
Journal: International journal of molecular sciences
Published: October 13, 2023
Last Updated: 09/26/2026