المؤلفون: Suruzhon, Miroslav, Abdel-Maksoud, Khaled, Bodnarchuk, Michael S., Ciancetta, Antonella, Wall, Ian D., Essex, Jonathan W.

المصدر: Journal of Chemical Physics; 4/21/2024, Vol. 160 Issue 15, p1-13, 13p

مصطلحات موضوعية: THERMODYNAMIC control, TEMPERATURE control, TEMPERING, DEGREES of freedom, TORSIONAL load, INTERPOLATION

المؤلفون: Suruzhon, Miroslav, Essex, Jonathan, Bodnarchuk, Michael S., Wall, Ian D., Viner, Russell, Ciancetta, Antonella, Naidoo, Kevin J., Barnett, Christopher B., Senapathi, Tharindu

وصف الملف: archive; text

العلاقة: https://eprints.soton.ac.uk/476294/1/Datasets.zipTest; https://eprints.soton.ac.uk/476294/2/README.txtTest; Suruzhon, Miroslav (2023) Dataset supporting the Southampton doctoral thesis 'Evaluating and improving the robustness of alchemical binding free energy calculations using adaptive enhanced sampling methods'. University of Southampton doi:10.5258/SOTON/D2265 [Dataset]

الإتاحة: https://doi.org/10.5258/SOTON/D2265Test
https://eprints.soton.ac.uk/476294Test/
https://eprints.soton.ac.uk/476294/1/Datasets.zipTest
https://eprints.soton.ac.uk/476294/2/README.txtTest

المؤلفون: Morese, Pasquale A., Anthony, Nahoum, Bodnarchuk, Michael, Jennings, Claire, Martin, Mathew P., Noble, Richard A., Phillips, Nicole, Thomas, Huw D., Wang, Lan Z., Lister, Andrew, Noble, Martin E. M., Ward, Richard A., Wedge, Stephen R., Stewart, Hannah L., Waring, Michael J.

المساهمون: AstraZeneca, Engineering and Physical Sciences Research Council, Cancer Research UK

المصدر: Journal of Medicinal Chemistry ; volume 66, issue 17, page 12324-12341 ; ISSN 0022-2623 1520-4804

الإتاحة: https://doi.org/10.1021/acs.jmedchem.3c00845Test

المؤلفون: Suruzhon, Miroslav, Bodnarchuk, Michael S., Ciancetta, Antonella, Wall, Ian D., Essex, Jonathan W.

المساهمون: Suruzhon, Miroslav, Bodnarchuk, Michael S., Ciancetta, Antonella, Wall, Ian D., Essex, Jonathan W.

وصف الملف: STAMPA

العلاقة: info:eu-repo/semantics/altIdentifier/pmid/35588256; info:eu-repo/semantics/altIdentifier/wos/WOS:000811959000001; volume:18; issue:6; firstpage:3894; lastpage:3910; numberofpages:17; journal:JOURNAL OF CHEMICAL THEORY AND COMPUTATION; https://hdl.handle.net/11392/2489395Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85131570369

الإتاحة: https://doi.org/10.1021/acs.jctc.1c01198Test
https://hdl.handle.net/11392/2489395Test

المؤلفون: Bodnarchuk, Michael

مرشدي الرسالة: Essex, Jonathan

مصطلحات موضوعية: 540, QD Chemistry

الإتاحة: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.568888Test

المؤلفون: Fechner, Uli, de Graaf, Chris, Torda, Andrew E, Güssregen, Stefan, Evers, Andreas, Matter, Hans, Hessler, Gerhard, Richmond, Nicola J, Schmidtke, Peter, Segler, Marwin HS, Waller, Mark P, Pleik, Stefanie, Shea, Joan-Emma, Levine, Zachary, Mullen, Ryan, van den Broek, Karina, Epple, Matthias, Kuhn, Hubert, Truszkowski, Andreas, Zielesny, Achim, Fraaije, Johannes Hans, Gracia, Ruben Serral, Kast, Stefan M, Bulusu, Krishna C, Bender, Andreas, Yosipof, Abraham, Nahum, Oren, Senderowitz, Hanoch, Krotzky, Timo, Schulz, Robert, Wolber, Gerhard, Bietz, Stefan, Rarey, Matthias, Zimmermann, Markus O, Lange, Andreas, Ruff, Manuel, Heidrich, Johannes, Onlia, Ionut, Exner, Thomas E, Boeckler, Frank M, Bermudez, Marcel, Firaha, Dzmitry S, Hollóczki, Oldamur, Kirchner, Barbara, Tautermann, Christofer S, Volkamer, Andrea, Eid, Sameh, Turk, Samo, Rippmann, Friedrich, Fulle, Simone, Saleh, Noureldin, Saladino, Giorgio, Gervasio, Francesco L, Haensele, Elke, Banting, Lee, Whitley, David C, Oliveira Santos, Jana Sopkova-de, Bureau, Ronan, Clark, Timothy, Sandmann, Achim, Lanig, Harald, Kibies, Patrick, Heil, Jochen, Hoffgaard, Franziska, Frach, Roland, Engel, Julian, Smith, Steven, Basu, Debjit, Rauh, Daniel, Kohlbacher, Oliver, Essex, Jonathan W, Bodnarchuk, Michael S, Ross, Gregory A, Finkelmann, Arndt R, Göller, Andreas H, Schneider, Gisbert, Husch, Tamara, Schütter, Christoph, Balducci, Andrea, Korth, Martin, Ntie-Kang, Fidele, Günther, Stefan, Sippl, Wolfgang, Mbaze, Luc Meva'a, Simoben, Conrad V, Lifongo, Lydia L, Judson, Philip, Barilla, Jiří, Lokajíček, Miloš V, Pisaková, Hana, Simr, Pavel, Kireeva, Natalia, Petrov, Alexandre, Ostroumov, Denis, Solovev, Vitaly P, Pervov, Vladislav S, Friedrich, Nils-Ole

المصدر: Journal of cheminformatics. 8(Suppl 1)

مصطلحات موضوعية: Macromolecular and Materials Chemistry

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/74n2c717Test

المؤلفون: Kettle, Jason G., Bagal, Sharan K., Barratt, Derek, Bodnarchuk, Michael S., Boyd, Scott, Braybrooke, Erin, Breed, Jason, Cassar, Doyle J., Cosulich, Sabina, Davies, Michael, Davies, Nichola L., Deng, Chao, Eatherton, Andrew, Evans, Laura, Feron, Lyman J., Fillery, Shaun, Gleave, Emma S., Goldberg, Frederick W., Cortés González, Miguel A., Guerot, Carine, Haider, Afreen, Harlfinger, Stephanie, Howells, Rachel, Jackson, Anne, Johnström, Peter, Kemmitt, Paul D., Koers, Alex, Kondrashov, Mikhail, Lamont, Gillian M., Lamont, Scott, Lewis, Hilary J., Liu, Libin, Mylrea, Megan, Nash, Samuel, Niedbala, Michael J., Peter, Alison, Phillips, Christopher, Pike, Kurt, Raubo, Piotr, Robb, Graeme R., Ross, Sarah, Sanders, Matthew G., Schou, Magnus, Simpson, Iain, Steward, Oliver

المصدر: Journal of Medicinal Chemistry ; volume 66, issue 13, page 9147-9160 ; ISSN 0022-2623 1520-4804

الإتاحة: https://doi.org/10.1021/acs.jmedchem.3c00746Test

المؤلفون: Kettle, Jason G., Bagal, Sharan K., Barratt, Derek, Bodnarchuk, Michael S., Boyd, Scott, Braybrooke, Erin, Breed, Jason, Cassar, Doyle J., Cosulich, Sabina, Davies, Michael, Davies, Nichola L., Deng, Chao, Eatherton, Andrew, Evans, Laura, Feron, Lyman J., Fillery, Shaun, Gleave, Emma S., Goldberg, Frederick W., Cortés González, Miguel A., Guerot, Carine

المصدر: Journal of Medicinal Chemistry; 7/13/2023, Vol. 66 Issue 13, p9147-9160, 14p

المؤلفون: Hargreaves, David, Carbajo, Rodrigo J., Bodnarchuk, Michael S., Embrey, Kevin, Rawlins, Philip B., Packer, Martin, Degorce, Sébastien L., Hird, Alexander W., Johannes, Jeffrey W., Chiarparin, Elisabetta, Schade, Markus

المصدر: Proceedings of the National Academy of Sciences of the United States of America; 5/23/2023, Vol. 120 Issue 21, p1-7, 27p

مصطلحات موضوعية: PROTEIN-protein interactions, BCL-2 proteins, NUCLEAR magnetic resonance, LIGAND analysis, HEMATOLOGIC malignancies

المؤلفون: Bodnarchuk, Michael S., Doncom, Kay E. B., Wright, Daniel B., Heyes, David M., Dini, Daniele, O'Reilly, Rachel K.

المصدر: RSC Advances ; volume 7, issue 32, page 20007-20014 ; ISSN 2046-2069

الإتاحة: https://doi.org/10.1039/c6ra27785cTest
http://pubs.rsc.org/en/content/articlepdf/2017/RA/C6RA27785CTest