PERCEPTION predicts patient response and resistance to treatment using single-cell transcriptomics of their tumors.

Autor: Sinha S; Cancer Data Science Laboratory, National Cancer Institute, Bethesda, MD, USA. ssinha@sbpdiscovery.org.; NCI-Designated Cancer Center, Sanford Burnham Prebys Medical Discovery Institute, San Diego, CA, USA. ssinha@sbpdiscovery.org., Vegesna R; Cancer Data Science Laboratory, National Cancer Institute, Bethesda, MD, USA., Mukherjee S; Cancer Data Science Laboratory, National Cancer Institute, Bethesda, MD, USA., Kammula AV; Cancer Data Science Laboratory, National Cancer Institute, Bethesda, MD, USA.; University of Maryland, College Park, MD, USA., Dhruba SR; Cancer Data Science Laboratory, National Cancer Institute, Bethesda, MD, USA., Wu W; Department of Medicine, University of California, San Francisco, San Francisco, CA, USA., Kerr DL; Department of Medicine, University of California, San Francisco, San Francisco, CA, USA., Nair NU; Cancer Data Science Laboratory, National Cancer Institute, Bethesda, MD, USA., Jones MG; Center for Computational Biology, University of California, Berkeley, Berkeley, CA, USA.; Department of Electrical Engineering and Computer Science, University of California, Berkeley, Berkeley, CA, USA.; Integrative Program in Quantitative Biology, University of California, San Francisco, San Francisco, CA, USA.; Whitehead Institute, Cambridge, MA, USA., Yosef N; Center for Computational Biology, University of California, Berkeley, Berkeley, CA, USA.; Department of Electrical Engineering and Computer Science, University of California, Berkeley, Berkeley, CA, USA., Stroganov OV; Rancho BioSciences, San Diego, CA, USA., Grishagin I; Rancho BioSciences, San Diego, CA, USA.; Division of Preclinical Innovation, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville, MD, USA., Aldape KD; Laboratory of Pathology, Center for Cancer Research, National Cancer Institute, Bethesda, MD, USA., Blakely CM; Department of Medicine, University of California, San Francisco, San Francisco, CA, USA.; Helen Diller Family Comprehensive Cancer Center, University of California, San Francisco, San Francisco, CA, USA., Jiang P; Cancer Data Science Laboratory, National Cancer Institute, Bethesda, MD, USA., Thomas CJ; Division of Preclinical Innovation, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville, MD, USA.; Lymphoid Malignancies Branch, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Bethesda, MD, USA., Benes CH; Massachusetts General Hospital, Harvard Medical School, Boston, MA, USA., Bivona TG; Department of Medicine, University of California, San Francisco, San Francisco, CA, USA.; Helen Diller Family Comprehensive Cancer Center, University of California, San Francisco, San Francisco, CA, USA.; Department of Cellular and Molecular Pharmacology, University of California, San Francisco, San Francisco, CA, USA.; Chan Zuckerberg Biohub Investigator, San Francisco, CA, USA., Schäffer AA; Cancer Data Science Laboratory, National Cancer Institute, Bethesda, MD, USA., Ruppin E; Cancer Data Science Laboratory, National Cancer Institute, Bethesda, MD, USA. eytan.ruppin@nih.gov.

Publikováno v: Nature cancer [Nat Cancer] 2024 Jun; Vol. 5 (6), pp. 938-952. Date of Electronic Publication: 2024 Apr 18.

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

Autor: Novikov FN; Zelinsky Institute of Organic Chemistry RAS, 47 Leninsky Prospect, Moscow, Russian Federation, 119991.; National Research University Higher School of Economics (HSE), 20 Myasnitskaya Street, Moscow, Russian Federation, 101000., Panova MV; Zelinsky Institute of Organic Chemistry RAS, 47 Leninsky Prospect, Moscow, Russian Federation, 119991., Titov IY; Zelinsky Institute of Organic Chemistry RAS, 47 Leninsky Prospect, Moscow, Russian Federation, 119991. il_tit@bk.ru.; National Research University Higher School of Economics (HSE), 20 Myasnitskaya Street, Moscow, Russian Federation, 101000. il_tit@bk.ru., Stroylov VS; Zelinsky Institute of Organic Chemistry RAS, 47 Leninsky Prospect, Moscow, Russian Federation, 119991. victor.stroylov@gmail.com.; National Research University Higher School of Economics (HSE), 20 Myasnitskaya Street, Moscow, Russian Federation, 101000. victor.stroylov@gmail.com., Stroganov OV; National Research University Higher School of Economics (HSE), 20 Myasnitskaya Street, Moscow, Russian Federation, 101000.; Molecular Technologies, LLC, Moscow, Russian Federation., Chilov GG; National Research University Higher School of Economics (HSE), 20 Myasnitskaya Street, Moscow, Russian Federation, 101000.; Molecular Technologies, LLC, Moscow, Russian Federation.

Publikováno v: Scientific reports [Sci Rep] 2022 Oct 11; Vol. 12 (1), pp. 17005. Date of Electronic Publication: 2022 Oct 11.

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

Autor: Stroganov OV; N. D. Zelinsky Institute of Organic Chemistry RAS, Leninsky Prospect, 47, 119991, Moscow, Russian Federation. oleg.stroganov@gmail.com.; Skolkovo Innovation Center, Molecular Technologies, LLC, Russian Federation, Bolshoi blv., 42(1), 121205, Moscow, Russia. oleg.stroganov@gmail.com.; BioMolTech Corp, 226 York Mills Road, M2L 1L1, Toronto, Ontario, Canada. oleg.stroganov@gmail.com., Novikov FN; N. D. Zelinsky Institute of Organic Chemistry RAS, Leninsky Prospect, 47, 119991, Moscow, Russian Federation.; Skolkovo Innovation Center, Molecular Technologies, LLC, Russian Federation, Bolshoi blv., 42(1), 121205, Moscow, Russia.; BioMolTech Corp, 226 York Mills Road, M2L 1L1, Toronto, Ontario, Canada., Medvedev MG; N. D. Zelinsky Institute of Organic Chemistry RAS, Leninsky Prospect, 47, 119991, Moscow, Russian Federation.; A. N. Nesmeyanov Institute of Organoelement Compounds RAS, Russian Federation, Vavilov str., 28, 119991, Moscow, Russia.; National Research University Higher School of Economics (HSE), Myasnitskaya str., 20, 101000, Moscow, Russian Federation.; Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory 1/3, 119991, Moscow, Russian Federation., Dmitrienko AO; N. D. Zelinsky Institute of Organic Chemistry RAS, Leninsky Prospect, 47, 119991, Moscow, Russian Federation.; A. N. Nesmeyanov Institute of Organoelement Compounds RAS, Russian Federation, Vavilov str., 28, 119991, Moscow, Russia., Gerasimov I; N. D. Zelinsky Institute of Organic Chemistry RAS, Leninsky Prospect, 47, 119991, Moscow, Russian Federation.; A. N. Nesmeyanov Institute of Organoelement Compounds RAS, Russian Federation, Vavilov str., 28, 119991, Moscow, Russia.; National University of Science and Technology «MISiS», 119490, Moscow, Russian Federation., Svitanko IV; N. D. Zelinsky Institute of Organic Chemistry RAS, Leninsky Prospect, 47, 119991, Moscow, Russian Federation.; National Research University Higher School of Economics (HSE), Myasnitskaya str., 20, 101000, Moscow, Russian Federation., Chilov GG; N. D. Zelinsky Institute of Organic Chemistry RAS, Leninsky Prospect, 47, 119991, Moscow, Russian Federation.; Skolkovo Innovation Center, Molecular Technologies, LLC, Russian Federation, Bolshoi blv., 42(1), 121205, Moscow, Russia.

Publikováno v: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2020 Feb; Vol. 34 (2), pp. 121-130. Date of Electronic Publication: 2020 Jan 21.

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

Autor: Zeifman AA; N. D. Zelinsky Institute Of Organic Chemistry (ZIOC RAS), Leninsky prospekt, 47, 119991 Moscow, Russian Federation. azeif@mail.ru., Novikov FN, Stroylov VS, Stroganov OV, Svitanko IV, Chilov GG

Publikováno v: Dalton transactions (Cambridge, England : 2003) [Dalton Trans] 2015 Oct 28; Vol. 44 (40), pp. 17795-9. Date of Electronic Publication: 2015 Sep 23.

Alchemical FEP Calculations of Ligand Conformer Focusing in Explicit Solvent.

Autor: Zeifman AA; N. D. Zelinsky Institute Of Organic Chemistry (ZIOC RAS), Leninsky avenue, 47, 119991 Moscow, Russian Federation.; National Research Centre 'Kurchatov Instititute' , Akademika Kurchatova pl., 1, 123182 Moscow, Russia., Stroylov VV; N. D. Zelinsky Institute Of Organic Chemistry (ZIOC RAS), Leninsky avenue, 47, 119991 Moscow, Russian Federation.; Molecular Technologies, Ltd. , Leninskie gory, 1/75G, 119992, Moscow, Russian Federation., Novikov FN; N. D. Zelinsky Institute Of Organic Chemistry (ZIOC RAS), Leninsky avenue, 47, 119991 Moscow, Russian Federation.; Molecular Technologies, Ltd. , Leninskie gory, 1/75G, 119992, Moscow, Russian Federation., Stroganov OV; N. D. Zelinsky Institute Of Organic Chemistry (ZIOC RAS), Leninsky avenue, 47, 119991 Moscow, Russian Federation.; Molecular Technologies, Ltd. , Leninskie gory, 1/75G, 119992, Moscow, Russian Federation., Kulkov V; BioMolTech Corp. , 226 York Mills Road, Toronto, Ontario M2L 1L1, Canada., Chilov GG; N. D. Zelinsky Institute Of Organic Chemistry (ZIOC RAS), Leninsky avenue, 47, 119991 Moscow, Russian Federation.; Molecular Technologies, Ltd. , Leninskie gory, 1/75G, 119992, Moscow, Russian Federation.

Publikováno v: Journal of chemical theory and computation [J Chem Theory Comput] 2013 Feb 12; Vol. 9 (2), pp. 1093-102. Date of Electronic Publication: 2013 Jan 25.