F. Novikov

发表

Novel curcumin derivatives as P-glycoprotein inhibitors: Molecular modeling, synthesis and sensitization of multidrug resistant cells to doxorubicin.

A. Shtil, M. Vagida, P. Alexiou, 2020, European journal of medicinal chemistry.

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.

Improved procedure of the search for poly(ADP-Ribose) polymerase-1 potential inhibitors with the use of the molecular docking approach

V. Svedas, S. Khodyreva, O. Lavrik, 2011, Molecular Biology.

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.

Identification of phosphorylation sites in aminoglycoside phosphotransferase VIII from Streptomyces rimosus

V. Danilenko, A. Shtil, F. Novikov, 2012, Biochemistry (Moscow).

Modeling of novel CDK7 inhibitors activity by molecular dynamics and free energy perturbation methods

F. Novikov, V. Stroylov, I. Titov, 2020 .

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

I. S. Bushmarinov, F. Novikov, G. Chilov, 2017 .

PF‑114, a novel selective inhibitor of BCR‑ABL tyrosine kinase, is a potent inducer of apoptosis in chronic myelogenous leukemia cells.

A. Khamidullina, M. Yastrebova, A. Shtil, 2019, International journal of oncology.

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 .

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 .

Novel Antitumor L‐Arabinose Derivative of Indolocarbazole with High Affinity to DNA

S. A. Strel’tsov, A. Shtil, A. Shchyolkina, 2009, ChemMedChem.

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.

Novel PARP1 inhibitors potentiate doxorubicin antitumor activity in vitro

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

Molecular docking: theoretical background, practical applications and perspectives

Fedor N. Novikov, Ghermes G. Chilov, F. Novikov, 2009 .

PF-114: A 4th Generation Tyrosine Kinase-Inhibitor for Chronic Phase Chronic Myeloid Leukaemia Including BCRABL1T315I

M. Baccarani, J. Cortes, R. Gale, 2019, Blood.

Phase-1 Study of PF-114 Mesylate in CML Failing Prior Tyrosine Kinase-Inhibitor Therapy

M. Baccarani, J. Cortes, R. Gale, 2018, Blood.

Molecular basis of COVID-19 pathogenesis

F. Novikov, I. V. Svitanko, V. Nebolsin, 2020, Russian Chemical Reviews.

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.

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..

Molecular basis of COVID-19 pathogenesis

F. Novikov, V. Nebolsin, V. S. Stroylov, 2020, Russian Chemical Reviews.

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.

Complex formation of Zn-, Ni-, and Pd-derivatives of purpurin-18 with serum albumin

V. Ol’shevskaya, A. Shtil, V. Kalinin, 2012, Russian Journal of Physical Chemistry A.

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..