المؤلفون: Roszak, Rafał, Gadina, Louis, Wołos, Agnieszka, Makkawi, Ahmad, Mikulak-Klucznik, Barbara, Bilgi, Yasemin, Molga, Karol, Gołębiowska, Patrycja, Popik, Oskar, Klucznik, Tomasz, Szymkuć, Sara, Moskal, Martyna, Baś, Sebastian, Frydrych, Rafał, Mlynarski, Jacek, Vakuliuk, Olena, Gryko, Daniel T., Grzybowski, Bartosz A.

Relation: Nature Communications, T. 15; https://ruj.uj.edu.pl/handle/item/502907

الاتاحة: https://ruj.uj.edu.pl/handle/item/502907
https://doi.org/10.1038/s41467-024-54611-5
https://www.nature.com/articles/s41467-024-54611-5

المؤلفون: Baczewska, Paulina, Kulczykowski, Michał, Zambroń, Bartosz, Jaszczewska‐Adamczak, Joanna, Pakulski, Zbigniew, Roszak, Rafał, Grzybowski, Bartosz A., Mlynarski, Jacek

المصدر: Angewandte Chemie ; volume 136, issue 37 ; ISSN 0044-8249 1521-3757

الاتاحة: http://dx.doi.org/10.1002/ange.202318487
https://onlinelibrary.wiley.com/doi/pdf/10.1002/ange.202318487

المؤلفون: Szymkuć, Sara, Wołos, Agnieszka, Roszak, Rafał, Grzybowski, Bartosz A.

المصدر: Nature Communications; 11/27/2024, Vol. 15 Issue 1, p1-12, 12p

مصطلحات موضوعية: CHEMICAL yield, NUCLEOPHILIC reactions

المؤلفون: Wołos, Agnieszka, Koszelewski, Dominik, Roszak, Rafał, Szymkuć, Sara, Moskal, Martyna, Ostaszewski, Ryszard, Brezicki, Gordon, Samuel, Jonathon, McQuade, D. Tyler, Rogers, Luke, Grzybowski, Bartosz A., Herrera, Brenden T., Maier, Josef M., Lummiss, Justin A. M.

المساهمون: Instytut Chemii Organicznej Polskiej Akademii Nauk, Allchemy, Highland, IN, USA, On Demand Pharmaceuticals, Rockville, MD, USA, Center for Soft and Living Matter, Institute for Basic Science (IBS), Ulsan, Republic of Korea, Department of Chemistry, Ulsan Institute of Science and Technology (UNIST), Ulsan, Republic of Korea

وصف الملف: application/pdf

Relation: Wołos A, Koszelewski D, Roszak R, Szymkuć S, Moskal M, Ostaszewski R, Herrera BT, Maier JM, Brezicki G, Samuel J, Lummiss JAM, McQuade DT, Rogers L, Grzybowski BA. Computer-designed repurposing of chemical wastes into drugs. Nature. 2022 Apr;604(7907):668-676. doi:10.1038/s41586-022-04503-9. Epub 2022 Apr 27. PMID: 35478240.; https://depot.ceon.pl/handle/123456789/21318

الاتاحة: https://depot.ceon.pl/handle/123456789/21318
https://doi.org/10.1038/s41586-022-04503-9

المؤلفون: Molga, Karol, Szymkuć, Sara, Gołębiowska, Patrycja, Popik, Oskar, Dittwald, Piotr, Moskal, Martyna, Roszak, Rafał, Młynarski, Jacek, Grzybowski, Bartosz A.

المساهمون: Institute of Organic Chemistry, Polish Academy of Sciences, Allchemy, Inc., Highland, IN, USA, IBS Center for Soft and Living Matter, UNIST, Ulsan, South Korea, Department of Chemistry, UNIST, Ulsan, South Korea

وصف الملف: application/pdf

Relation: Molga, K., Szymkuć, S., Gołębiowska, P. et al. A computer algorithm to discover iterative sequences of organic reactions. Nature Synthesis 1, 49–58 (2022). https://doi.org/10.1038/s44160-021-00010-3; https://depot.ceon.pl/handle/123456789/21643

الاتاحة: https://depot.ceon.pl/handle/123456789/21643
https://doi.org/10.1038/s44160-021-00010-3

المؤلفون: Beker, Wiktor, Roszak, Rafał, Wołos, Agnieszka, Angello, Nicholas H., Rathore, Vandana, Burke, Martin D., Grzybowski, Bartosz A.

المساهمون: Allchemy, Inc., Highland, Indiana, Institute of Organic Chemistry, Polish Academy of Sciences, Department of Chemistry, University of Illinois at Urbana-Champaign, Center for Soft and Living Matter, Institute for Basic Science (IBS), Ulsan, Republic of Korea, Department of Chemistry, Ulsan Institute of Science and Technology (UNIST), Ulsan, Republic of Korea, Department of Biochemistry, Institute for Genomic Biology, Carle Illinois College of Medicine, and Beckman Institute, University of Illinois at Urbana-Champaign

مصطلحات موضوعية: addition reactions, chemical reactions, layers, mathematical methods, solvents

وصف الملف: application/pdf

Relation: J. Am. Chem. Soc. 2022, 144, 4819−4827. https://doi.org/10.1021/jacs.1c12005; https://depot.ceon.pl/handle/123456789/21370

الاتاحة: https://depot.ceon.pl/handle/123456789/21370

المؤلفون: Strieth-Kalthoff, Felix, Hao, Han, Rathore, Vandana, Derasp, Joshua, Gaudin, Théophile, Angello, Nicholas H., Seifrid, Martin, Trushina, Ekaterina, Guy, Mason, Liu, Junliang, Tang, Xun, Mamada, Masashi, Wang, Wesley, Tsagaantsooj, Tuul, Lavigne, Cyrille, Pollice, Robert, Wu, Tony C., Hotta, Kazuhiro, Bodo, Leticia, Li, Shangyu, Haddadnia, Mohammad, Wołos, Agnieszka, Roszak, Rafał, Ser, Cher Tian, Bozal-Ginesta, Carlota, Hickman, Riley J., Vestfrid, Jenya, Aguilar-Granda, Andrés, Klimareva, Elena L., Sigerson, Ralph C., Hou, Wenduan, Gahler, Daniel, Lach, Slawomir, Warzybok, Adrian, Borodin, Oleg, Rohrbach, Simon, Sanchez-Lengeling, Benjamin, Adachi, Chihaya, Grzybowski, Bartosz A., Cronin, Leroy, Hein, Jason E., Burke, Martin D., Aspuru-Guzik, Alán

Relation: Science, T. 384, nr 6697; https://ruj.uj.edu.pl/handle/item/460027

الاتاحة: https://ruj.uj.edu.pl/handle/item/460027
https://doi.org/10.1126/science.adk9227

المؤلفون: Żądło-Dobrowolska, Anna, Molga, Karol, Kolodiazhna, Olga O., Szymkuć, Sara, Moskal, Martyna, Roszak, Rafał, Grzybowski, Bartosz A.

المساهمون: Institute for Basic Science, Korea (project code IBS-R020-D1, National Science Centre, Poland, Allchemy, Inc. internal funds, Allchemy Inc. Internal funds

المصدر: Nature Synthesis ; volume 3, issue 5, page 643-654 ; ISSN 2731-0582

الاتاحة: http://dx.doi.org/10.1038/s44160-024-00497-6
https://www.nature.com/articles/s44160-024-00497-6.pdf
https://www.nature.com/articles/s44160-024-00497-6

المؤلفون: Roszak, Rafał, Wołos, Agnieszka, Benke, Marcin, Gleń, Łukasz, Konka, Jakub, Jensen, Phillip, Burgchardt, Paweł, Żądło-Dobrowolska, Anna, Janiuk, Piotr, Szymkuć, Sara, Grzybowski, Bartosz A.

المساهمون: Korea Basic Science Institute

المصدر: Chem ; volume 10, issue 3, page 952-970 ; ISSN 2451-9294

الاتاحة: http://dx.doi.org/10.1016/j.chempr.2023.12.009
https://api.elsevier.com/content/article/PII:S2451929423006113?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S2451929423006113?httpAccept=text/plain

المؤلفون: Roszak, Rafał, Gadina, Louis, Wołos, Agnieszka, Makkawi, Ahmad, Mikulak-Klucznik, Barbara, Bilgi, Yasemin, Molga, Karol, Gołębiowska, Patrycja, Popik, Oskar, Klucznik, Tomasz, Szymkuć, Sara, Moskal, Martyna, Baś, Sebastian, Mlynarski, Jacek, Grzybowski, Bartosz A.

الاتاحة: http://dx.doi.org/10.26434/chemrxiv-2024-zr6rw
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/66c3e21f20ac769e5f1c96db/original/systematic-computational-discovery-of-multicomponent-reactions-and-one-pot-sequences.pdf

المؤلفون: Szymkuć, Sara, Gajewska, Ewa P., Molga, Karol, Wołos, Agnieszka, Roszak, Rafał, Beker, Wiktor, Moskal, Martyna, Dittwald, Piotr, Grzybowski, Bartosz A.

المساهمون: Narodowe Centrum Nauki, Institute for Basic Science, Defense Advanced Research Projects Agency

المصدر: Chemical Science ; volume 11, issue 26, page 6736-6744 ; ISSN 2041-6520 2041-6539

الاتاحة: http://dx.doi.org/10.1039/d0sc01799j
http://pubs.rsc.org/en/content/articlepdf/2020/SC/D0SC01799J

المؤلفون: Wołos, Agnieszka, Roszak, Rafał, Żądło-Dobrowolska, Anna, Beker, Wiktor, Mikulak-Klucznik, Barbara, Spólnik, Grzegorz, Dygas, Mirosław, Szymkuć, Sara, Grzybowski, Bartosz A.

المساهمون: Narodowe Centrum Nauki, Institute for Basic Science, Sara Szymkuc and Bartosz Grzybowski

المصدر: Science ; volume 369, issue 6511 ; ISSN 0036-8075 1095-9203

الاتاحة: https://doi.org/10.1126/science.aaw1955
https://syndication.highwire.org/content/doi/10.1126/science.aaw1955
https://www.science.org/doi/pdf/10.1126/science.aaw1955

المؤلفون: Strieth-Kalthoff, Felix, Hao, Han, Rathore, Vandana, Derasp, Joshua, Gaudin, Théophile, Angello, Nicholas H., Seifrid, Martin, Trushina, Ekaterina, Guy, Mason, Liu, Junliang, Tang, Xun, Mamada, Masashi, Wang, Wesley, Tsagaantsooj, Tuul, Lavigne, Cyrille, Wu, Tony C., Hotta, Kazuhiro, Bodo, Leticia, Li, Shangyu, Haddadnia, Mohammad, Wolos, Agnieszka, Roszak, Rafal, Ser, Cher-Tian, Bozal-Ginesta, Carlota, Hickman, Riley, Vestfrid, Jenya, Aguilar-Gránda, Andrés, Klimareva, Elena L., Sigerson, Ralph C., Huo, Wenduan, Gahler, Daniel, Lach, Slawomir, Warzybok, Adrian, Borodin, Oleg, Rohrbach, Simon, Sanchez-Lengeling, Benjamin, Adachi, Chihaya, Grzybowski, Bartosz A., Cronin, Leroy, Hein, Jason E., Burke, Martin D., Aspuru-Guzik, Alán

Relation: https://doi.org/10.5281/zenodo.8357282; https://doi.org/10.5281/zenodo.8357283; oai:zenodo.org:8357283

الاتاحة: https://doi.org/10.5281/zenodo.8357283

المؤلفون: Klucznik, Tomasz, Mikulak-Klucznik, Barbara, McCormack, Michael P., Lima, Heather, Szymkuć, Sara, Bhowmick, Manishabrata, Molga, Karol, Zhou, Yubai, Rickershauser, Lindsey, Gajewska, Ewa P., Toutchkine, Alexei, Dittwald, Piotr, Startek, Michał P., Kirkovits, Gregory J., Roszak, Rafał, Adamski, Ariel, Sieredzińska, Bianka, Mrksich, Milan, Trice, Sarah L.J., Grzybowski, Bartosz A.

المساهمون: US Defense Advanced Research Projects Agency, Polish National Science Center, Merck, NCN, Institute for Basic Science Korea

المصدر: Chem ; volume 4, issue 3, page 522-532 ; ISSN 2451-9294

الاتاحة: http://dx.doi.org/10.1016/j.chempr.2018.02.002
https://api.elsevier.com/content/article/PII:S2451929418300639?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S2451929418300639?httpAccept=text/plain

المؤلفون: Angello, Nicholas H., Rathore, Vandana, Beker, Wiktor, Wolos, Agnieszka, Jira, Edward R., Roszak, Rafal, Wu, Tony C., Schroeder, Charles M., Aspuru-Guzik, Alan, Grzybowski, Bartosz A., Burke, Martin D.

Relation: SCIENCE, v.378, no.6618, pp.399 - 405; https://scholarworks.unist.ac.kr/handle/201301/61134; 41909; 2-s2.0-85140865399; 000884785600006

الاتاحة: https://scholarworks.unist.ac.kr/handle/201301/61134
https://doi.org/10.1126/science.adc8743

المؤلفون: Roszak, Rafał, Roszak, Szczepan

المصدر: Journal of Molecular Modeling ; volume 21, issue 2 ; ISSN 1610-2940 0948-5023

الاتاحة: http://dx.doi.org/10.1007/s00894-014-2552-6
http://link.springer.com/content/pdf/10.1007/s00894-014-2552-6.pdf
http://link.springer.com/article/10.1007/s00894-014-2552-6/fulltext.html
http://link.springer.com/content/pdf/10.1007/s00894-014-2552-6

المؤلفون: Froelich, Anna, Osmałek, Tomasz, Kunstman, Paweł, Roszak, Rafał, Białas, Wojciech

المصدر: Drug Development and Industrial Pharmacy ; volume 42, issue 6, page 854-861 ; ISSN 0363-9045 1520-5762

الاتاحة: http://dx.doi.org/10.3109/03639045.2015.1066799
https://www.tandfonline.com/doi/pdf/10.3109/03639045.2015.1066799

المؤلفون: Roszak, Rafal, Roszak, Szczepan, Majumdar, D., Firlej, Lucyna, Kuchta, Bogdan, Leszczynski, Jerzy

المساهمون: Technical university of Wroclaw, Laboratoire Charles Coulomb (L2C), Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Matériaux divisés, interfaces, réactivité, électrochimie (MADIREL), Aix Marseille Université (AMU)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS), Jackson State University (JSU)

المصدر: ISSN: 1089-5639.

مصطلحات موضوعية: [PHYS.PHYS.PHYS-COMP-PH]Physics [physics]/Physics [physics]/Computational Physics [physics.comp-ph], [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]

Relation: hal-01937956; https://hal.science/hal-01937956; https://hal.science/hal-01937956/document; https://hal.science/hal-01937956/file/Roszak2014.pdf

الاتاحة: https://hal.science/hal-01937956
https://hal.science/hal-01937956/document
https://hal.science/hal-01937956/file/Roszak2014.pdf
https://doi.org/10.1021/jp504618h

المؤلفون: Roszak, Rafał, Gadina, Louis, Wołos, Agnieszka, Makkawi, Ahmad, Mikulak-Klucznik, Barbara, Bilgi, Yasemin, Molga, Karol, Gołębiowska, Patrycja, Popik, Oskar, Klucznik, Tomasz, Szymkuć, Sara, Moskal, Martyna, Baś, Sebastian, Frydrych, Rafał, Mlynarski, Jacek, Vakuliuk, Olena, Gryko, Daniel T., Grzybowski, Bartosz A.

مصطلحات موضوعية: Crystal Structure, Experimental 3D Coordinates, Crystal System, Space Group, Cell Parameters, Crystallography, 7a-acetyl-6-methyl-7-3-nitrophenyl-3a,6,7,7a-tetrahydro-2-benzofuran-13H-one

وصف الملف: CIF

Relation: https://dx.doi.org/10.1038/s41467-024-54611-5

الاتاحة: https://dx.doi.org/10.5517/ccdc.csd.cc2ln9g1
http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2ln9g1&sid=DataCite

المؤلفون: Moskal, Martyna, Beker, Wiktor, Roszak, Rafał, Gajewska, Ewa P., Wołos, Agnieszka, Molga, Karol, Szymkuć, Sara, Grynkiewicz, Grzegorz, Grzybowski, Bartosz

الاتاحة: http://dx.doi.org/10.26434/chemrxiv.12084690.v2
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/60c74a30ee301c7ddac79be2/original/suggestions-for-second-pass-anti-covid-19-drugs-based-on-the-artificial-intelligence-measures-of-molecular-similarity-shape-and-pharmacophore-distribution.pdf