Lead Finder: An Approach To Improve Accuracy of Protein−Ligand Docking, Binding Energy Estimation, and Virtual Screening
Stroganov, Oleg V, Novikov, Fedor N, Stroylov, Viktor S, Kulkov, Val, Chilov, Ghermes G
Published in Journal of Chemical Information and Modeling (22.12.2008)
Published in Journal of Chemical Information and Modeling (22.12.2008)
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Mapping of UK Biobank clinical codes: Challenges and possible solutions
Stroganov, Oleg, Fedarovich, Alena, Wong, Emily, Skovpen, Yulia, Pakhomova, Elena, Grishagin, Ivan, Fedarovich, Dzmitry, Khasanova, Tania, Merberg, David, Szalma, Sándor, Bryant, Julie
Published in PloS one (16.12.2022)
Published in PloS one (16.12.2022)
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Quantum Mechanical-Cluster Approach to Solve the Bioisosteric Replacement Problem in Drug Design
Losev, Timofey V., Gerasimov, Igor S., Panova, Maria V., Lisov, Alexey A., Abdyusheva, Yana R., Rusina, Polina V., Zaletskaya, Eugenia, Stroganov, Oleg V., Medvedev, Michael G., Novikov, Fedor N.
Published in Journal of chemical information and modeling (27.02.2023)
Published in Journal of chemical information and modeling (27.02.2023)
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Journal Article
Reducing false-positive rates in virtual screening via cancellation of systematic errors in the scoring function
Medvedev, Michael G., Stroganov, Oleg V., Dmitrienko, Artem O., Panova, Maria V., Lisov, Alexey A., Svitanko, Igor V., Novikov, Fedor N., Chilov, Ghermes G.
Published in Mendeleev communications (01.11.2022)
Published in Mendeleev communications (01.11.2022)
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PERCEPTION predicts patient response and resistance to treatment using single-cell transcriptomics of their tumors
Sinha, Sanju, Vegesna, Rahulsimham, Mukherjee, Sumit, Kammula, Ashwin V, Dhruba, Saugato Rahman, Wu, Wei, Kerr, D Lucas, Nair, Nishanth Ulhas, Jones, Matthew G, Yosef, Nir, Stroganov, Oleg V, Grishagin, Ivan, Aldape, Kenneth D, Blakely, Collin M, Jiang, Peng, Thomas, Craig J, Benes, Cyril H, Bivona, Trever G, Schäffer, Alejandro A, Ruppin, Eytan
Published in Nature cancer (01.06.2024)
Published in Nature cancer (01.06.2024)
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Journal Article
TSAR, a new graph-theoretical approach to computational modeling of protein side-chain flexibility: Modeling of ionization properties of proteins
Stroganov, Oleg V., Novikov, Fedor N., Zeifman, Alexey A., Stroylov, Viktor S., Chilov, Ghermes G.
Published in Proteins, structure, function, and bioinformatics (01.09.2011)
Published in Proteins, structure, function, and bioinformatics (01.09.2011)
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Journal Article
An explicit account of solvation is essential for modeling Suzuki-Miyaura coupling in protic solvents
Zeifman, Alexey A, Novikov, Fedor N, Stroylov, Victor S, Stroganov, Oleg V, Svitanko, Igor V, Chilov, Ghermes G
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2015)
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2015)
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Journal Article
Quantifying Possible Routes for SpnF-Catalyzed Formal Diels–Alder Cycloaddition
Medvedev, Michael G, Zeifman, Alexey A, Novikov, Fedor N, Bushmarinov, Ivan S, Stroganov, Oleg V, Titov, Ilya Yu, Chilov, Ghermes G, Svitanko, Igor V
Published in Journal of the American Chemical Society (22.03.2017)
Published in Journal of the American Chemical Society (22.03.2017)
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Journal Article
CSAR Scoring Challenge Reveals the Need for New Concepts in Estimating Protein–Ligand Binding Affinity
Novikov, Fedor N, Zeifman, Alexey A, Stroganov, Oleg V, Stroylov, Viktor S, Kulkov, Val, Chilov, Ghermes G
Published in Journal of chemical information and modeling (26.09.2011)
Published in Journal of chemical information and modeling (26.09.2011)
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Journal Article
Molecular modeling of different substrate‐binding modes and their role in penicillin acylase catalysis
Novikov, Fedor N., Stroganov, Oleg V., Khaliullin, Ilyas G., Panin, Nikolay V., Shapovalova, Irina V., Chilov, Ghermes G., Švedas, Vytas K.
Published in The FEBS journal (01.01.2013)
Published in The FEBS journal (01.01.2013)
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Journal Article
2,3-Dihydroxy-quinoxaline induces ATPase activity of Herpes Simplex Virus thymidine kinase
Zeifman, Alexey A., Novikov, Fedor N., Stroylov, Victor S., Stroganov, Oleg V., Chilov, Ghermes G., Skoblov, Alexander Y., Miroshnikov, Anatoly I., Skoblov, Yuri S.
Published in FEBS letters (31.01.2014)
Published in FEBS letters (31.01.2014)
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Journal Article
Improving performance of docking-based virtual screening by structural filtration
Novikov, Fedor N., Stroylov, Viktor S., Stroganov, Oleg V., Chilov, Ghermes G.
Published in Journal of molecular modeling (01.07.2010)
Published in Journal of molecular modeling (01.07.2010)
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Journal Article
Exhaustive conformational search for transition states: the case of catechol O-methyltransferase active site
Medvedev, Michael G., Panova, Maria V., Chilov, Ghermes G., Bushmarinov, Ivan S., Novikov, Fedor N., Stroganov, Oleg V., Zeifman, Alexey A., Svitanko, Igor V.
Published in Mendeleev communications (01.05.2017)
Published in Mendeleev communications (01.05.2017)
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Journal Article
Hit clustering can improve virtual fragment screening: CDK2 and PARP1 case studies
Zeifman, Alexey A., Stroylov, Victor S., Novikov, Fedor N., Stroganov, Oleg V., Zakharenko, Alexandra L., Khodyreva, Svetlana N., Lavrik, Olga I., Chilov, Ghermes G.
Published in Journal of molecular modeling (01.06.2012)
Published in Journal of molecular modeling (01.06.2012)
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Journal Article
Rational design and synthesis of new PARP1 inhibitors
Romashov, Leonid V., Zeifman, Alexey A., Zakharenko, Alexandra L., Novikov, Fedor N., Stroilov, Viktor S., Stroganov, Oleg V., Chilov, Germes G., Khodyreva, Svetlana N., Lavrik, Olga I., Titov, Ilya Yu, Svitan’ko, Igor V.
Published in Mendeleev communications (01.01.2012)
Published in Mendeleev communications (01.01.2012)
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Journal Article
Rational design and synthesis of novel Syk-kinase inhibitors
Zeifman, Alexey A., Titov, Ilya Yu, Svitanko, Igor V., Rakitina, Tatiana V., Lipkin, Aleksey V., Stroylov, Viktor S., Stroganov, Oleg V., Novikov, Fedor N., Chilov, Ghermes G.
Published in Mendeleev communications (01.03.2012)
Published in Mendeleev communications (01.03.2012)
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