Vladimir Aladinskiy

Insilicos (United States) — United States

Computer Science · Physical Sciences

17h-index3.5kcitations44works29.32yr avg
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Research Topics

Computational Drug Discovery Methods(19), Machine Learning in Materials Science(12), Hepatitis C virus research(4), Synthesis and biological activity(4), Crystallization and Solubility Studies(4)

Publications44 total

Abstract PD10-05: (z)-endoxifen maintains erα antagonist function against esr1 mutants via inactive conformation stabilization and reversal of mutant esr1-associated transcriptional signatures
Clinical Cancer Research·2026
When Single Answer Is Not Enough: Rethinking Single-Step Retrosynthesis Benchmarks for LLMs
arXiv (Cornell University)·2026Open Access
When Single Answer Is Not Enough: Rethinking Single-Step Retrosynthesis Benchmarks for LLMs
arXiv (Cornell University)·2026Open Access
Traf2- and Nck-interacting kinase inhibitors: a patent review (2008–2024)
Expert Opinion on Therapeutic Patents·2025
Molecular LEGION: Latent Enumeration, Generation, Integration, Optimization and Navigation. A case study of incalculably large chemical space coverage around the NLRP3 target
2025Open Access
Identification of Novel pan-KRAS Inhibitors via Structure-Based Drug Design, Scaffold Hopping, and Biological Evaluation
ACS Medicinal Chemistry Letters·2025· 2 citedOpen Access
Discovery of Bis-imidazolecarboxamide Derivatives as Novel, Potent, and Selective TNIK Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis
Journal of Medicinal Chemistry·2024· 11 cited
A small-molecule TNIK inhibitor targets fibrosis in preclinical and clinical models
Nature Biotechnology·2024· 222 citedOpen Access
Chemistry42: An AI-Driven Platform for Molecular Design and Optimization
Journal of Chemical Information and Modeling·2023· 175 citedOpen Access
AlphaFold accelerates artificial intelligence powered drug discovery: efficient discovery of a novel CDK20 small molecule inhibitor
Chemical Science·2023· 292 citedOpen Access
AlphaFold Accelerates Artificial Intelligence Powered Drug Discovery: Efficient Discovery of a Novel Cyclin-dependent Kinase 20 (CDK20) Small Molecule Inhibitor
arXiv (Cornell University)·2022· 9 citedOpen Access
CCDC 2098784: Experimental Crystal Structure Determination
The Cambridge Structural Database·2021Open Access
CCDC 2098785: Experimental Crystal Structure Determination
The Cambridge Structural Database·2021Open Access
CCDC 2098783: Experimental Crystal Structure Determination
The Cambridge Structural Database·2021Open Access
Chemistry42: An AI-based platform for de novo molecular design
arXiv (Cornell University)·2021· 10 citedOpen Access
Method for automatic evaluation of the voice signals quality with low bit rate voice coding
Achievements of Modern Radioelectronics·2021
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
Frontiers in Pharmacology·2020· 84 citedOpen Access
Synthesis, inhibitory activity and oral dosing formulation of AV5124, the structural analogue of influenza virus endonuclease inhibitor baloxavir
Journal of Antimicrobial Chemotherapy·2020· 14 citedOpen Access
Synthesis, biological evaluation and in silico modeling of novel pan-genotypic NS5A inhibitors
Bioorganic & Medicinal Chemistry·2020· 3 citedOpen Access
Non-rigid Diarylmethyl Analogs of Baloxavir as Cap-Dependent Endonuclease Inhibitors of Influenza Viruses
Journal of Medicinal Chemistry·2020· 23 cited
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Frequent Co-authors

Yan A. Ivanenkov(25), Alex Zhavoronkov(19), Bogdan Zagribelnyy(15), Dmitry S. Bezrukov(13), Victor A. Terentiev(12), Daniil Polykovskiy(12), Mark S. Veselov(11), Alex Aliper(10), Anastasia V. Aladinskaya(9), Dmitry A. Skvortsov(8), Andrey A. Ivashchenko(8), Oleg D. Mitkin(8), Angela G. Koryakova(8), Alexander G. Majouga(7), Andrey A. Ayginin(7), Рубен Карапетян(7), Dmitry V. Kravchenko(7), Alexandre V. Ivachtchenko(7), Feng Ren(6), Alexander Zhebrak(6)