부산대학교 도서관

Li, F; Ackloo, S; Arrowsmith, CH; Ban, F; Barden, CJ; Beck, H; Beranek, J; Berenger, F; Bolotokova, A; Bret, G

JOURNAL OF CHEMICAL INFORMATION AND MODELING. 64(23):8521-8536

James Wellnitz; Shabbir Ahmad; Nabin Bagale; Xuemin Cheng; Jermiah Joseph; Hong Zeng; Albina Bolotokova; Aiping Dong; Shaghayegh Reza; Pegah Ghiabi; Elisa Gibson; Guiping Tu; Xianyang Li; Jian Liu; Dengfeng Dou; Jin Li; Timothy L. Foley; Anthony R. Harris; Jacquelyn L. Klug-McLeod; Jisun Lee; Zsofia Lengyel-Zhand; Justin I. Montgomery; Sylvie Sakata; Jinzhi Zhang; Hongyao Zhu; Dafydd R. Owen; Rachel J. Harding; Aled M. Edwards; Benjamin Haibe-Kains; Levon Halabelian; Alexander Tropsha; Rafael M. Couñago

J Med Chem

A. A. Bapinaev; A. A. Bapinaeva; A. B. Khadzugov; I. K. Tkhabisimova; F. Kh. Оrakova; L. S. Bolotokova; O. S. Shogenov; O. A. Miziev; S. S. Gulaev; D. A. Nagoeva; R. M. Abidokov; I. V. Musov; D. I. Istepanova; D. R. Zaifova; A. A. Urusbambetova

Meditsinskiy sovet = Medical Council. 19:35-41

L. T. Khokonova; R. M. Aramisova; Z. A. Kambachokova; E. A. Agoeva; L. S. Lamashvili; L. S. Bolotokova; D. A. Tlizamova; N. A. Maremshaova; D. A. Zumakulova; I. K. Daov; Z. I. Mamayeva; A. Z. Kalyanov; T. A. Shugushev

Антибиотики и Химиотерапия, Vol 0, Iss 0 (2022)

Oleksandra Herasymenko; Madhushika Silva; Abd Al-Aziz A. Abu-Saleh; Ayaz Ahmad; Jesus Alvarado-Huayhuaz; Oscar E. A. Arce; Roly J. Armstrong; Cheryl Arrowsmith; Kelly E. Bachta; Hartmut Beck; Denes Berta; Mateusz K. Bieniek; Vincent Blay; Albina Bolotokova; Philip E. Bourne; Marko Breznik; Peter J. Brown; Aaron D. G. Campbell; Emanuele Carosati; Irene Chau; Daniel J. Cole; Ben Cree; Wim Dehaen; Katrin Denzinger; Karina dos Santos Machado; Ian Dunn; Prasannavenkatesh Durai; Kristina Edfeldt; Aled Edwards; Darren Fayne; Daniel Felfoldi; Kallie Friston; Pegah Ghiabi; Elisa Gibson; Judith Günther; Anders Gunnarsson; Alexander Hillisch; Douglas R. Houston; Jan Halborg Jensen; Rachel J. Harding; Kate S. Harris; Laurent Hoffer; Anders Hogner; Joshua T. Horton; Scott Houliston; Judd F. Hultquist; Ashley Hutchinson; John J. Irwin; Marko Jukič; Shubhangi Kandwal; Andrea Karlova; Vittorio L. Katis; Ryan P. Kich; Dmitri Kireev; David Koes; Nicole L. Inniss; Uta Lessel; Sijie Liu; Peter Loppnau; Wei Lu; Sam Martino; Miles McGibbon; Jens Meiler; Akhila Mettu; Sam Money-Kyrle; Rocco Moretti; Yurii S. Moroz; Charuvaka Muvva; Joseph A. Newman; Leon Obendorf; Brooks Paige; Amit Pandit; Keunwan Park; Sumera Perveen; Rachael Pirie; Gennady Poda; Mykola Protopopov; Vera Pütter; Federico Ricci; Natalie J. Roper; Edina Rosta; Margarita Rzhetskaya; Yogesh Sabnis; Karla J. F. Satchell; Frederico Schmitt Kremer; Thomas Scott; Almagul Seitova; Casper Steinmann; Valerij Talagayev; Olga O. Tarkhanova; Natalie J. Tatum; Dakota Treleaven; Adriano Velasque Werhli; W. Patrick Walters; Xiaowen Wang; Jude Wells; Geoffrey Wells; Yvonne Westermaier; Gerhard Wolber; Lars Wortmann; Jixian Zhang; Zheng Zhao; Shuangjia Zheng; Matthieu Schapira

J Chem Inf Model
Herasymenko, O, Silva, M, Abu-Saleh, A A-A A, Ahmad, A, Alvarado-Huayhuaz, J, Arce, O E A, Armstrong, R J, Arrowsmith, C, Bachta, K E, Beck, H, Berta, D, Bieniek, M K, Blay, V, Bolotokova, A, Bourne, P E, Breznik, M, Brown, P J, Campbell, A D G, Carosati, E, Chau, I, Cole, D J, Cree, B, Dehaen, W, Denzinger, K, Dos Santos Machado, K, Dunn, I, Durai, P, Edfeldt, K, Edwards, A, Fayne, D, Felfoldi, D, Friston, K, Ghiabi, P, Gibson, E, Günther, J, Gunnarsson, A, Hillisch, A, Houston, D R, Jensen, J H, Harding, R J, Harris, K S, Hoffer, L, Hogner, A, Horton, J T, Houliston, S, Hultquist, J F, Hutchinson, A, Irwin, J J, Jukič, M, Kandwal, S, Karlova, A, Katis, V L, Kich, R P, Kireev, D, Koes, D, Inniss, N L, Lessel, U, Liu, S, Loppnau, P, Lu, W, Martino, S, McGibbon, M, Meiler, J, Mettu, A, Money-Kyrle, S, Moretti, R, Moroz, Y S, Muvva, C, Newman, J A, Obendorf, L, Paige, B, Pandit, A, Park, K, Perveen, S, Pirie, R, Poda, G, Protopopov, M, Pütter, V, Ricci, F, Roper, N J, Rosta, E, Rzhetskaya, M, Sabnis, Y, Satchell, K J F, Schmitt Kremer, F, Scott, T, Seitova, A, Steinmann, C, Talagayev, V, Tarkhanova, O O, Tatum, N J, Treleaven, D, Velasque Werhli, A, Walters, W P, Wang, X, Wells, J, Wells, G, Westermaier, Y, Wolber, G, Wortmann, L, Zhang, J, Zhao, Z, Zheng, S & Schapira, M 2025, 'CACHE Challenge #2 : Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13', Journal of Chemical Information and Modeling, vol. 65, no. 13, pp. 6884-6898. https://doi.org/10.1021/acs.jcim.5c00535

Xiaoyun Wang; Jianxian Sun; Shabbir Ahmad; Diwen Yang; Fengling Li; U. Hang Chan; Hong Zeng; Conrad V. Simoben; Stuart R. Green; Madhushika Silva; Scott Houliston; Aiping Dong; Albina Bolotokova; Elisa Gibson; Maria Kutera; Pegah Ghiabi; Ivan Kondratov; Tetiana Matviyuk; Alexander Chuprina; Danai Mavridi; Christopher Lenz; Andreas C. Joerger; Benjamin D. Brown; Richard B. Heath; Wyatt W. Yue; Lucy K. Robbie; Tyler S. Beyett; Susanne Müller; Stefan Knapp; Dafydd R. Owen; Rachel Harding; Matthieu Schapira; Peter J. Brown; Vijayaratnam Santhakumar; Suzanne Ackloo; Cheryl H. Arrowsmith; Aled M. Edwards; Hui Peng; Levon Halabelian

Nature Communications, Vol 17, Iss 1, Pp 1-10 (2025)

Oleksandra Herasymenko; Madhushika Silva; Galen J. Correy; Abd Al-Aziz A. Abu-Saleh; Suzanne Ackloo; Cheryl Arrowsmith; Fuqiang Ban; Hartmut Beck; Kevin P. Bishop; Hugo J. Bohórquez; Albina Bolotokova; Marko Breznik; Irene Chau; Yu Chen; Artem Cherkasov; Wim Dehaen; Dennis Della Corte; Katrin Denzinger; Kristina Edfeldt; Aled Edwards; Darren Fayne; Francesco Gentile; Elisa Gibson; Ozan Gokdemir; John J. Irwin; Anders Gunnarsson; Judith Günther; Jan Halborg Jensen; Rachel J Harding; Alexander Hillisch; Laurent Hoffer; Anders Hogner; Ashley Hutchinson; Shubhangi Kandwal; Andrea Karlova; Dima Kozakov; Juyong Lee; Soowon Lee; Uta Lessel; Sijie Liu; Xuefeng Liu; Peter Loppnau; Jens Meiler; Rocco Moretti; Yurii S. Moroz; Charuvaka Muvva; Tudor I. Oprea; Brooks Paige; Amit Pandit; Keunwan Park; Gennady Poda; Mykola V. Protopopov; Vera Pütter; Rahul Ravichandran; Didier Rognan; Edina Rosta; Yogesh Sabnis; Thomas Scott; Almagul Seitova; Purshotam Sharma; François Sindt; Minghu Song; Casper Steinmann; Rick Stevens; Valerij Talagayev; Valentyna V. Tararina; Olga Tarkhanova; Damon Tingey; John Trant; Dakota Treleaven; Alexander Tropsha; Patrick Walters; Jude Wells; Yvonne Westermaier; Gerhard Wolber; Lars Wortmann; Shuangjia Zheng; James S. Fraser; Matthieu Schapira

Fuqiang Ban; Rahul Ravichandran; Galen J. Correy; Oleksandra Herasymenko; Madhushika Silva; Suzanne Ackloo; Albina Bolotokova; Irene Chau; Elisa Gibson; Rachel Harding; Ashley Hutchinson; Peter Loppnau; James S. Fraser; Matthieu Schapira; Artem Cherkasov; Francesco Gentile

bioRxiv

Ackloo, Suzanne; Li, Fengling; Szewczyk, Magda; Seitova, Almagul; Loppnau, Peter; Zeng, Hong; Xu, Jin; Ahmad, Shabbir; Arnautova, Yelena A; Baghaie, A. J.; Beldar, Serap; Bolotokova, Albina; Centrella, Paolo A.; Chau, Irene; Clark, Matthew A.; Cuozzo, John W.; Dehghani-Tafti, Saba; Disch, Jeremy S.; Dong, Aiping; Dumas, Antoine; Feng, Jianwen A.; Ghiabi, Pegah; Gibson, Elisa; Gilmer, Justin; Goldman, Brian; Green, Stuart R; Guié, Marie-Aude; Guilinger, John P.; Harms, Nathan; Herasymenko, Oleksandra; Houliston, Scott; Hutchinson, Ashley; Kearnes, Steven; Keefe, Anthony D.; Kimani, Serah W.; Kramer, Trevor; Kutera, Maria; Kwak, Haejin A.; Lento, Cristina; Li, Yanjun; Liu, Jenny; Loup, Joachim; Machado, Raquel A. C.; Mulhern, Christopher J.; Perveen, Sumera; Righetto, Germanna L.; Riley, Patrick; Shrestha, Suman; Sigel, Eric A.; Silva, Madhushika; Sintchak, Michael D.; Slakman, Belinda L.; Taylor, Rhys D.; Thompson, James; Torng, Wen; Underkoffler, Carl; von Rechenberg, Moritz; Walsh, Ryan T.; Watson, Ian; Wilson, Derek J.; Wolf, Esther; Yadav, Manisha; Yazdi, Aliakbar K.; Zhang, Junyi; Zhang, Ying; Santhakumar, Vijayaratnam; Edwards, Aled M.; Barsyte-Lovejoy, Dalia; Schapira, Matthieu; Brown, Peter J.; Halabelian, Levon; Arrowsmith, Cheryl H.

J Med Chem
Journal of Medicinal Chemistry

Filipp Gusev; Evgeny Gutkin; Francesco Gentile; Fuqiang Ban; S. Benjamin Koby; Fengling Li; Irene Chau; Suzanne Ackloo; Cheryl H. Arrowsmith; Albina Bolotokova; Pegah Ghiabi; Elisa Gibson; Levon Halabelian; Scott Houliston; Rachel J. Harding; Ashley Hutchinson; Peter Loppnau; Sumera Perveen; Almagul Seitova; Hong Zeng; Matthieu Schapira; Artem Cherkasov; Olexandr Isayev; Maria G. Kurnikova

J Chem Inf Model

Eguida, Merveille; Bret, Guillaume; Sindt, François; Li, Fengling; Chau, Irene; Ackloo, Suzanne; Arrowsmith, Cheryl; Bolotokova, Albina; Ghiabi, Pegah; Gibson, Elisa; Halabelian, Levon; Houliston, Scott; Harding, Rachel J.; Hutchinson, Ashley; Loppnau, Peter; Perveen, Sumera; Seitova, Almagul; Zeng, Hong; Schapira, Matthieu; Rognan, Didier

Journal of Chemical Information and Modeling

Igor Yu. Sklyarov; Yulia M. Sklyarova; Lyudmila A. Latysheva; Bela V. Bolotokova

EKONOMIKA I UPRAVLENIE: PROBLEMY, RESHENIYA. :172-178

Mann, Mandeep K.; Wolf, Esther; Silva, Madhushika; Kwak, Haejin Angela; Wilson, Brian; Bolotokova, Albina; Wilson, Derek J.; Harding, Rachel J.; Schapira, Matthieu

ACS Omega
ACS Omega, Vol 9, Iss 1, Pp 917-924 (2023)
ACS Omega.

Herasymenko O; Structural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.; Silva M; Structural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.; Correy GJ; Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, California 94158, United States.; Abu-Saleh AAA; Department of Chemistry and Biochemistry, University of Windsor, 401 Sunset Avenue, Windsor, Ontario N9B 3P4, Canada.; Binary Star Research Services, LaSalle, Ontario N9J 3X8, Canada.; Ackloo S; Structural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.; Arrowsmith C; Structural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.; Department of Medical Biophysics, University of Toronto, Toronto, Ontario M5G 1L7, Canada.; Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 2C4, Canada.; Ashworth A; Helen Diller Family Comprehensive Cancer Center, University of California, San Francisco, San Francisco, California 94143, United States.; Ban F; Vancouver Prostate Centre, 2660 Oak Street, Vancouver, British Columbia V6H3Z6, Canada.; Beck H; Bayer AG, Drug Discovery Sciences, Wuppertal 42113, Germany.; Bishop KP; Drug Discovery Program, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada.; QuAccel, Toronto, Ontario M4M 1L8, Canada.; Bohórquez HJ; Drug Discovery Program, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada.; QuAccel, Toronto, Ontario M4M 1L8, Canada.; Bolotokova A; Structural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.; Breznik M; Molecular Design Group, Institute of Pharmacy, Department of Biology, Chemistry & Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2+4, Berlin 14195, Germany.; Chau I; Structural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.; Chen Y; Molecular Design Group, Institute of Pharmacy, Department of Biology, Chemistry & Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2+4, Berlin 14195, Germany.; Cherkasov A; University of British Columbia, Vancouver, British Columbia V6H 3Z6, Canada.; Dehaen W; CZ-OPENSCREEN, Department of Informatics and Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology Prague, Technická 5, 16 628 Prague 6, Czech Republic.; Department of Organic Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology Prague, Technická 5, 16 628 Prague 6, Czech Republic.; Della Corte D; Department of Physics and Astronomy, Brigham Young University, Provo 84602, Utah.; Denzinger K; Molecular Design Group, Institute of Pharmacy, Department of Biology, Chemistry & Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2+4, Berlin 14195, Germany.; Doering NP; Molecular Design Group, Institute of Pharmacy, Department of Biology, Chemistry & Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2+4, Berlin 14195, Germany.; Edfeldt K; Structural Genomics Consortium, Department of Medicine, Karolinska University Hospital and Karolinska Institutet, Stockholm 171 76, Sweden.; Edwards A; Structural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.; Fayne D; DCU Life Sciences Institute, Dublin City University, Dublin D09 DXA0, Ireland.; Molecular Design Group, School of Chemical Sciences, Dublin City University, Glasnevin, Dublin D09 V209, Ireland.; Gentile F; Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario K1N 6N5, Canada.; Ottawa Institute of Systems Biology, Ottawa, Ontario K1H 8M5, Canada.; Gibson E; Structural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.; Gokdemir O; University of Chicago, Chicago, Illinois 60637, United States.; Argonne National Laboratory, Lemont, Illinois 60439, United States.; Gunnarsson A; Protein, Structure and Biophysics, Discovery Sciences, BioPharmaceuticals R&D, AstraZeneca, Gothenburg 43150, Sweden.; Günther J; Bayer AG, Drug Discovery Sciences, Berlin 13353, Germany.; Irwin JJ; Department of Pharmaceutical Chemistry, University of California San Francisco, 1700 Fourth St, San Francisco, California 94158-2330, United States.; Jensen JH; Department of Chemistry, University of Copenhagen, 1353 Copenhagen, Denmark.; Harding RJ; Structural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.; Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 2C4, Canada.; Leslie Dan Faculty of Pharmacy, University of Toronto, Toronto, Ontario M5S 3M2, Canada.; Department of Pharmacology & Toxicology, University of Toronto, Toronto, Ontario M5S 1A8, Canada.; Hillisch A; UCB BioSciences GmbH, Rolf-Schwarz-Schütte-Platz 1, 40789 Monheim am Rhein, Germany.; Hoffer L; Drug Discovery Program, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada.; QuAccel, Toronto, Ontario M4M 1L8, Canada.; Hogner A; Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism (CVRM), BioPharmaceuticals R&D, AstraZeneca, Gothenburg 43150, Sweden.; Hutchinson A; Structural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.; Kandwal S; DCU Life Sciences Institute, Dublin City University, Dublin D09 DXA0, Ireland.; Molecular Design Group, School of Chemical Sciences, Dublin City University, Glasnevin, Dublin D09 V209, Ireland.; Molecular Design Group, School of Biochemistry and Immunology, Trinity Biomedical Sciences Institute, Trinity College Dublin, 152-160 Pearse St, Dublin 2 D02 R590, Ireland.; Trinity Biomedical Sciences Institute, School of Biochemistry and Immunology, Trinity College Dublin, 152-160 Pearse Street, Dublin 2 D02 R590, Ireland.; Karlova A; Department of Computer Science, University College London, London WC1E 6BT, U.K.; Koirala K; Eshelman School of Pharmacy, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.; Kotelnikov S; Stony Brook University, Department of Applied Mathematics & Statistics, Stony Brook, New York 11794-3600, United States.; Kozakov D; Stony Brook University, Department of Applied Mathematics & Statistics, Stony Brook, New York 11794-3600, United States.; Lee J; Department of Molecular Medicine and Biopharmaceutical Sciences, Seoul National University, 08826 Seoul, South Korea.; College of Pharmacy, Seoul National University, 08826 Seoul, South Korea.; Arontier Co., 06784 Seoul, South Korea.; Lee S; College of Pharmacy, Seoul National University, 08826 Seoul, South Korea.; Lessel U; Boehringer Ingelheim Pharma GmbH & Co., KG, Birkendorfer Str. 65, 88397 Biberach an der Riss, Germany.; Liu S; Molecular Design Group, Institute of Pharmacy, Department of Biology, Chemistry & Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2+4, Berlin 14195, Germany.; Liu X; University of Chicago, Chicago, Illinois 60637, United States.; Argonne National Laboratory, Lemont, Illinois 60439, United States.; Loppnau P; Structural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.; Meiler J; Institute for Drug Discovery, Faculty of Medicine, Faculty of Mathematics and Informatics, Faculty of Chemistry and Mineralogy, University Leipzig, Leipzig 04109, Germany.; Center for Scalable Data Analytics and Artificial Intelligence ScaDS.AI Dresden/Leipzig and School of Embedded Composite Artificial Intelligence SECAI, Dresden/Leipzig 01062, Germany.; Department of Chemistry, Department of Pharmacology, Center for Structural Biology, Institute of Chemical Biology, Center for Applied Artificial Intelligence in Protein Dynamics, Vanderbilt University, Nashville, Tennessee 37240-0002, United States.; Moretti R; Department of Chemistry, Center for Structural Biology, Vanderbilt University, South Nashville, Nashville, Tennessee 37240-0002, United States.; Moroz YS; Chemspace, Kyiv 02094, Ukraine.; Muvva C; Center for Natural Product Systems Biology, Korea Institute of Science and Technology, Gangneung 25451, Republic of Korea.; Oprea TI; Experts System Inc.,12730 High Bluff Drive, Suite 100, San Diego, California 92130, United States.; Paige B; AI Centre, Department of Computer Science, University College London, London WC1E 6BT, U.K.; Pandit A; Molecular Design Group, Institute of Pharmacy, Department of Biology, Chemistry & Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2+4, Berlin 14195, Germany.; School of Pharmacy and Technology Management, SVKM's Narsee Monjee Institute of Management Studies (NMIMS) Deemed-to-be-University, Indore, Madhya Pradesh 453112, India.; Park K; Center for Natural Product Systems Biology, Korea Institute of Science and Technology, Gangneung 25451, Republic of Korea.; Poda G; Drug Discovery Program, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada.; QuAccel, Toronto, Ontario M4M 1L8, Canada.; Leslie Dan Faculty of Pharmacy, University of Toronto, Toronto, Ontario M5S 3M2, Canada.; Protopopov MV; Chemspace, Kyiv 02094, Ukraine.; Pütter V; Nuvisan ICB GmbH, Berlin 13353, Germany.; Ravichandran R; Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario K1N 6N5, Canada.; Rognan D; Laboratoire d'Innovation Thérapeutique, UMR7200 CNRS-Université de Strasbourg, 67400 Illkirch, France.; Rosta E; Department of Physics and Astronomy, University College London, London WC1E 6BT, U.K.; Sabnis Y; UCB Pharma, Braine-L'Alleud 1420, Belgium.; Scott T; Department of Chemistry, Center for Structural Biology, Vanderbilt University, South Nashville, Nashville, Tennessee 37240-0002, United States.; Seitova A; Structural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.; Sharma P; Department of Chemistry and Biochemistry, University of Windsor, 401 Sunset Avenue, Windsor, Ontario N9B 3P4, Canada.; Binary Star Research Services, LaSalle, Ontario N9J 3X8, Canada.; Sindt F; Laboratoire d'Innovation Thérapeutique, UMR7200 CNRS-Université de Strasbourg, 67400 Illkirch, France.; Song M; Institute of Health and Medicine, Hefei Comprehensive National Science Center, Hefei, Anhui 230000, China.; Steinmann C; Department of Chemistry and Bioscience, Aalborg University, Fredrik Bajers Vej 7H, Aalborg, DK-9220, Denmark.; Stevens R; University of Chicago, Chicago, Illinois 60637, United States.; Argonne National Laboratory, Lemont, Illinois 60439, United States.; Talagayev V; Molecular Design Group, Institute of Pharmacy, Department of Biology, Chemistry & Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2+4, Berlin 14195, Germany.; Tararina VV; Taras Shevchenko National University of Kyiv, Kyiv 01033, Ukraine.; Tarkhanova O; Center for Scalable Data Analytics and Artificial Intelligence ScaDS.AI Dresden/Leipzig and School of Embedded Composite Artificial Intelligence SECAI, Dresden/Leipzig 01062, Germany.; Tingey D; Department of Physics and Astronomy, Brigham Young University, Provo 84602, Utah.; Trant JF; Department of Chemistry and Biochemistry, University of Windsor, 401 Sunset Avenue, Windsor, Ontario N9B 3P4, Canada.; Binary Star Research Services, LaSalle, Ontario N9J 3X8, Canada.; WE-SPARK Health Institute, 401 Sunset Avenue, Windsor, Ontario N9B 3P4, Canada.; Treleaven D; Conscience Medicines Network, Toronto, Ontario M5G 1L7, Canada.; Tropsha A; Eshelman School of Pharmacy, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.; Walters P; Relay Therapeutics, Cambridge, Massachusetts 02141, United States.; Wells J; Department of Computer Science, University College London, London WC1E 6BT, U.K.; Westermaier Y; Boehringer Ingelheim RCV, Dr. Boehringer-Gasse 5-11, 1121 Vienna, Austria.; Wolber G; Molecular Design Group, Institute of Pharmacy, Department of Biology, Chemistry & Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2+4, Berlin 14195, Germany.; Wortmann L; Boehringer Ingelheim Pharma GmbH & Co., KG, Birkendorfer Str. 65, Biberach an der Riss 88397, Germany.; Zheng S; Shanghai Jiao Tong University, Shanghai 200030, China.; Fraser JS; Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, California 94158, United States.; Schapira M; Structural Genomics Consortium, University Health Network, Toronto, Ontario M5G 2C4, Canada.; Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 2C4, Canada.; Department of Pharmacology & Toxicology, University of Toronto, Toronto, Ontario M5S 1A8, Canada.

Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE

Ahmed Fnaiche; Hwai-Chien Chan; Alexis Paquin; Narjara González Suárez; Victoria Vu; Fengling Li; Abdellah Allali-Hassani; Michelle Ada Cao; Magdalena M. Szewczyk; Albina Bolotokova; Frédéric Allemand; Muriel Gelin; Dalia Barsyte-Lovejoy; Vijayaratnam Santhakumar; Masoud Vedadi; Jean-François Guichou; Borhane Annabi; Alexandre Gagnon

ACS Medicinal Chemistry Letters. 14:1746-1753

Ahmad S; Structural Genomics Consortium, University of Toronto, Ontario M5G 1L7, Canada.; Xu J; Google Research, Mountain View, California 94043, United States.; Feng JA; Google Research, Mountain View, California 94043, United States.; Hutchinson A; Structural Genomics Consortium, University of Toronto, Ontario M5G 1L7, Canada.; Zeng H; Structural Genomics Consortium, University of Toronto, Ontario M5G 1L7, Canada.; Ghiabi P; Structural Genomics Consortium, University of Toronto, Ontario M5G 1L7, Canada.; Dong A; Structural Genomics Consortium, University of Toronto, Ontario M5G 1L7, Canada.; Centrella PA; X-Chem Inc., 100 Beaver Street, Waltham, Massachusetts 02435, United States.; Clark MA; X-Chem Inc., 100 Beaver Street, Waltham, Massachusetts 02435, United States.; Guié MA; X-Chem Inc., 100 Beaver Street, Waltham, Massachusetts 02435, United States.; Guilinger JP; X-Chem Inc., 100 Beaver Street, Waltham, Massachusetts 02435, United States.; Keefe AD; X-Chem Inc., 100 Beaver Street, Waltham, Massachusetts 02435, United States.; Zhang Y; X-Chem Inc., 100 Beaver Street, Waltham, Massachusetts 02435, United States.; Cerruti T; Relay Therapeutics, 399 Binney Street, Cambridge, Massachusetts 02139, United States.; Cuozzo JW; Relay Therapeutics, 399 Binney Street, Cambridge, Massachusetts 02139, United States.; von Rechenberg M; Relay Therapeutics, 399 Binney Street, Cambridge, Massachusetts 02139, United States.; Bolotokova A; Structural Genomics Consortium, University of Toronto, Ontario M5G 1L7, Canada.; Li Y; Structural Genomics Consortium, University of Toronto, Ontario M5G 1L7, Canada.; Loppnau P; Structural Genomics Consortium, University of Toronto, Ontario M5G 1L7, Canada.; Seitova A; Structural Genomics Consortium, University of Toronto, Ontario M5G 1L7, Canada.; Li YY; Structural Genomics Consortium, University of Toronto, Ontario M5G 1L7, Canada.; Santhakumar V; Structural Genomics Consortium, University of Toronto, Ontario M5G 1L7, Canada.; Brown PJ; Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.; Ackloo S; Structural Genomics Consortium, University of Toronto, Ontario M5G 1L7, Canada.; Halabelian L; Structural Genomics Consortium, University of Toronto, Ontario M5G 1L7, Canada.; Department of Pharmacology and Toxicology, University of Toronto, Toronto M5S 1A8, Ontario, Canada.

Publisher: American Chemical Society Country of Publication: United States NLM ID: 9716531 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-4804 (Electronic) Linking ISSN: 00222623 NLM ISO Abbreviation: J Med Chem Subsets: MEDLINE

Seitova, Alma; Cuozzo, John W.; Brown, Peter J.; Feng, Jianwen A.; Ghiabi, Pegah; Hutchinson, Ashley; Dong, Aiping; Li, Yanjun; Ackloo, Suzanne; Keefe, Anthony D.; Santhakumar, Vijayaratnam; Ahmad, Shabbir; Zhang, Ying; von Rechenberg, Moritz; Li, Yen-Yen; Halabelian, Levon; Zeng, Hong; Bolotokova, Albina; Clark, Matthew A.; Guié, Marie-Aude; Cerruti, Thomas; Loppnau, Peter; Centrella, Paolo A.; Xu, Jin; Guilinger, John P.

Journal of Medicinal Chemistry. 66:16051-16061

James Wellnitz; Shabbir Ahmad; Nabin Begale; Jermiah Joseph; Hong Zeng; Albina Bolotokova; Aiping Dong; Shaghayegh Reza; Pegah Ghiabi; Gibson Elisa; Xuemin Cheng; Guiping Tu; Xianyang Li; Jian Liu; Dengfeng Dou; Jin Li; Rachel J. Harding; Aled M. Edwards; Benjamin Haibe-Kains; Levon Halabelian; Alexander Tropsha; Rafael Couñago

Aliakbar Khalili Yazdi; Paknoosh Pakarian; Sumera Perveen; Taraneh Hajian; Vijayaratnam Santhakumar; Albina Bolotokova; Fengling Li; Masoud Vedadi

ACS Infectious Diseases. 8:1533-1542

Suzanne Ackloo; Fengling Li; Magda Szewczyk; Almagul Seitova; Peter Loppnau; Hong Zeng; Jin Xu; Shabbir Ahmad; Yelena A Arnautova; AJ Baghaie; Serap Beldar; Albina Bolotokova; Paolo A Centrella; Irene Chau; Matthew A Clark; John W Cuozzo; Saba Dehghani-Tafti; Jeremy S Disch; Aiping Dong; Antoine Dumas; Jianwen A. Feng; Pegah Ghiabi; Elisa Gibson; Justin Gilmer; Brian Goldman; Stuart R Green; Marie-Aude Guié; John P Guilinger; Nathan Harms; Oleksandra Herasymenko; Scott Houliston; Ashley Hutchinson; Steven Kearnes; Anthony D Keefe; Serah W Kimani; Trevor Kramer; Maria Kutera; Haejin A Kwak; Cristina Lento; Yanjun Li; Jenny Liu; Joachim Loup; Raquel AC Machado; Christopher J Mulhern; Sumera Perveen; Germanna L Righetto; Patrick Riley; Suman Shrestha; Eric A Sigel; Madhushika Silva; Michael D. Sintchak; Belinda L Slakman; Rhys D Taylor; James Thompson; Wen Torng; Carl Underkoffler; Moritz von Rechenberg; Ian Watson; Derek J Wilson; Esther Wolf; Manisha Yadav; Aliakbar K Yazdi; Junyi Zhang; Ying Zhang; Vijayaratnam Santhakumar; Aled M Edwards; Dalia Barsyte-Lovejoy; Matthieu Schapira; Peter J Brown; Levon Halabelian; Cheryl H Arrowsmith