O. Stroganov

发表

TSAR, a new graph–theoretical approach to computational modeling of protein side‐chain flexibility: Modeling of ionization properties of proteins

Alexey A. Zeifman, Viktor S. Stroylov, F. Novikov, 2011, Proteins: Structure, Function, and Bioinformatics.

Quantifying Possible Routes for SpnF-Catalyzed Formal Diels-Alder Cycloaddition.

M. G. Medvedev, I. S. Bushmarinov, F. Novikov, 2017, Journal of the American Chemical Society.

Inhibition of SYK and cSrc kinases can protect bone and cartilage in preclinical models of osteoarthritis and rheumatoid arthritis

V. Stroylov, O. Stroganov, G. Chilov, 2021, Scientific Reports.

Charge redistribution in the SpnF-catalyzed Diels–Alder reaction

K. Lyssenko, I. S. Bushmarinov, F. Novikov, 2017 .

Exhaustive conformational search for transition states: the case of catechol O-methyltransferase active site

Alexey A. Zeifman, I. S. Bushmarinov, F. Novikov, 2017 .

PF-114, a potent and selective inhibitor of native and mutated BCR/ABL is active against Philadelphia chromosome-positive (Ph+) leukemias harboring the T315I mutation

Alexey A. Zeifman, O. Ottmann, D. Hoelzer, 2014, Leukemia.

PF-114, a Novel Inhibitor of Bcr-Abl Chimeric Tyrosine Kinase, Attenuates Intracellular CrkL Phosphorylation and Kills Chronic Myeloid Leukemia Cells

A. Shtil, F. Novikov, G. Chilov, 2016 .

Predicting patient treatment response and resistance via single-cell transcriptomics of their tumors

Saugato Rahman Dhruba, A. Schäffer, E. Ruppin, 2022, bioRxiv.

Lead finder: an approach to improve accuracy of protein-ligand docking, binding energy estimation, and virtual screening.

Fedor N. Novikov, Oleg V. Stroganov, Viktor S. Stroylov, 2008, Journal of chemical information and modeling.

An explicit account of solvation is essential for modeling Suzuki-Miyaura coupling in protic solvents.

Alexey A. Zeifman, F. Novikov, V. Stroylov, 2015, Dalton transactions.

Rational design and synthesis of new PARP1 inhibitors

S. Khodyreva, O. Lavrik, A. Zakharenko, 2012 .

Hit clustering can improve virtual fragment screening: CDK2 and PARP1 case studies

Alexey A. Zeifman, Oleg V Stroganov, Fedor N Novikov, 2012, Journal of Molecular Modeling.

Synthesis of an allosteric modulator of ionotropic glutamate receptors

V. V. Malykhin, O. Stroganov, V. Grigoriev, 2020 .

Novel PARP1 inhibitors potentiate doxorubicin antitumor activity in vitro

T. Rakitina, F. Novikov, V. Stroylov, 2015 .

NCATS Inxight Drugs: a comprehensive and curated portal for translational research

Vishal B. Siramshetty, Timothy K Sheils, Noel Southall, 2021, Nucleic Acids Res..

Alchemical FEP Calculations of Ligand Conformer Focusing in Explicit Solvent.

Oleg V Stroganov, Fedor N Novikov, Alexey A Zeifman, 2013, Journal of chemical theory and computation.

Lead Finder docking and virtual screening evaluation with Astex and DUD test sets

Fedor N. Novikov, Alexey A. Zeifman, Oleg V. Stroganov, 2012, Journal of Computer-Aided Molecular Design.

Imidazole-4-N-acetamide Derivatives as a Novel Scaffold for Selective Targeting of Cyclin Dependent Kinases

A. Shtil, M. Brachs, O. Stroganov, 2023, Cancers.

Lead Finder: An Approach To Improve Accuracy of Protein-Ligand Docking, Binding Energy Estimation, and Virtual Screening

Fedor N. Novikov, Oleg V. Stroganov, Viktor S. Stroylov, 2009, J. Chem. Inf. Model..

Quantum Mechanical-Cluster Approach to Solve the Bioisosteric Replacement Problem in Drug Design

F. Novikov, A. Lisov, O. Stroganov, 2023, J. Chem. Inf. Model..

Developing novel approaches to improve binding energy estimation and virtual screening: a PARP case study

Fedor N. Novikov, Oleg V. Stroganov, Viktor S. Stroylov, 2009, Journal of molecular modeling.

Molecular modeling studies of substrate binding by penicillin acylase

O. Stroganov, V. Švedas, G. G. Chilov, 2008, Biochemistry (Moscow).

The role of human in the loop: lessons from D3R challenge 4

Oleg V Stroganov, Fedor N Novikov, Michael G Medvedev, 2020, Journal of Computer-Aided Molecular Design.

Novel fragment-like inhibitors of EphA2 obtained by experimental screening and modelling

A. Lipkin, T. Rakitina, F. Novikov, 2010 .

Modeling comparative selectivity profiles of kinase inhibitors using FEP/MD protocol

F. Novikov, V. Stroylov, I. Titov, 2017 .

Rational design and synthesis of novel Syk-kinase inhibitors

Alexey A. Zeifman, A. Lipkin, T. Rakitina, 2012 .

CSAR Scoring Challenge Reveals the Need for New Concepts in Estimating Protein-Ligand Binding Affinity

Fedor N. Novikov, Alexey A. Zeifman, Oleg V. Stroganov, 2011, J. Chem. Inf. Model..