In silico studies of the open form of human tissue transglutaminase
Ivashchenko, S. D., Shulga, D. A., Ivashchenko, V. D., Zinovev, E. V., Vlasov, A. V.
Published in Scientific reports (10.07.2024)
Published in Scientific reports (10.07.2024)
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Journal Article
Quadrupole correction for halogen bonding description in virtual screening and molecular docking
Titov, O. I., Shulga, D. A., Palyulin, V. A., Zefirov, N. S.
Published in Doklady. Chemistry (01.11.2016)
Published in Doklady. Chemistry (01.11.2016)
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Journal Article
Fast tools for calculation of atomic charges well suited for drug design
Shulga, D.A., Oliferenko, A.A., Pisarev, S.A., Palyulin, V.A., Zefirov, N.S.
Published in SAR and QSAR in environmental research (01.01.2008)
Published in SAR and QSAR in environmental research (01.01.2008)
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Journal Article
The scheduling based on machine learning for heterogeneous CPU/GPU systems
Shulga, D. A., Kapustin, A. A., Kozlov, A. A., Kozyrev, A. A., Rovnyagin, M. M.
Published in 2016 IEEE NW Russia Young Researchers in Electrical and Electronic Engineering Conference (EIConRusNW) (01.02.2016)
Published in 2016 IEEE NW Russia Young Researchers in Electrical and Electronic Engineering Conference (EIConRusNW) (01.02.2016)
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Conference Proceeding
Modeling of atomic RESP charges with the use of topological calculation schemes
Shul’ga, D. A., Oliferenko, A. A., Pisarev, S. A., Palyulin, V. A., Zefirov, N. S.
Published in Doklady. Chemistry (01.05.2006)
Published in Doklady. Chemistry (01.05.2006)
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Journal Article
Software development framework for a distributed storage and GPGPU data processing infrastructure
Kamenskikh, I. S., Sinelnikov, D. M., Kalintsev, D. S., Kozlov, A. A., Rovnyagin, M. M., Shulga, D. A.
Published in 2016 IEEE NW Russia Young Researchers in Electrical and Electronic Engineering Conference (EIConRusNW) (01.02.2016)
Published in 2016 IEEE NW Russia Young Researchers in Electrical and Electronic Engineering Conference (EIConRusNW) (01.02.2016)
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Conference Proceeding
Increasing the functionality of the modern NoSQL-systems with GPGPU-technology
Kozlov, A. A., Aleshina, A. A., Kamenskikh, I. S., Rovnyagin, M. M., Sinelnikov, D. M., Shulga, D. A.
Published in 2016 IEEE NW Russia Young Researchers in Electrical and Electronic Engineering Conference (EIConRusNW) (01.02.2016)
Published in 2016 IEEE NW Russia Young Researchers in Electrical and Electronic Engineering Conference (EIConRusNW) (01.02.2016)
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Conference Proceeding
Description of halogen bonding on the basis of multicenter multipole expansion
Titov, O. I., Shulga, D. A., Palyulin, V. A., Zefirov, N. S.
Published in Doklady. Chemistry (01.05.2013)
Published in Doklady. Chemistry (01.05.2013)
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Journal Article
Interaction of manzamine A with glycogen synthase kinase 3β: a molecular dynamics study
Osolodkin, D. I., Shulga, D. A., Palyulin, V. A., Zefirov, N. S.
Published in Russian chemical bulletin (01.10.2010)
Published in Russian chemical bulletin (01.10.2010)
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Journal Article