未登录A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data
MacDermott-Opeskin, Hugo; Scheen, Jenke; Wognum, Cas; Horton, Joshua T.; West, Devany; Payne, Alexander Matthew; Castellanos, Maria A.; Colby, Sean; Griffen, Edward; Cousins, David; Stacey, Jessica; Reid, Lauren; Aschenbrenner, Jasmin Cara; Fearon, Daren; Balcomb, Blake; Marples, Peter; Tomlinson, Charles W. E.; Lithgo, Ryan; Godoy, Andre S.; Winokan, Max; Barr, Haim; Lahav, Noa; Lavi, Michael; Duberstein, Shirley; Cohen, Galit; Fate, Gwendolyn; Lefker, Bruce; Robinson, Ralph; Szommer, Tamas; Lynch, Nick; Minh, David D. L.; Van Ngoc Thuy La; Kang, Lulu; Huddleston, Kate; Renslow, Ryan; Tollefson, Mallory; Walters, W. Patrick; Xu, Cynthia; Hsu, Jonny; St-Laurent, Julien; Etsmoberg, Honore; Zhu, Lu; Quirke, Andrew; Haleem, Mohamed Iliyas Abdul; Alibay, Irfan; Baid, Gunjan; Birnbaum, Benjamin; Bishop, Kevin P.; Bohorquez, Hugo; Bose, Ashmita; Brown, C. J.; Burns, Jackson; Cai, Lianjin; Cedeno, Ruel; de Cesco, Stephane; Chupakhin, Vladimir; Clark, Finlay; Cole, Daniel J.; Corbi-Verge, Carles; Danial, Muhammad; Davi, Alec; Dehaen, Wim; Doering, Niklas Piet; Dougha, Alexis; Dreanic, Marie-Pierre; Eakin, Bryce; Ehrlich, Anatol; Elijosius, Rokas; Fulop, Jozef; Gitter, Anthony; Goossens, Kenneth; Gu, Yaowen; Head-Gordon, Teresa; Hoffer, Laurent; Hofmans, Johan; Jiang, Ellena; Kaminow, Benjamin; Khosravi, Sina; Khoualdi, Asma Feriel; Lenselink, Eelke Bart; Liu, Zhirong; Liu, Yue; Liu, Sijie; Ma, Yizhou; Maher, Patrick; Mayer, Imke; Mendez-Lucio, Oscar; Mey, Antonia S. J. S.; Michel, Julien; Montanari, Floriane; Niu, Taoyu; Ogino, Ryusei; Palaniappan, Ashok; Pan, Xiaolin; Patnaik, Auro; Pham, Long-Hung; Pinto, Luis; Purnomo, Justin; Rich, Alex; Schaaf, Lars; Schran, Christoph; Singh, Rajeev Kumar; Srilakshmi, Mounika; Srivastava, Satya Pratik; Sun, Kunyang; Sun, Zhaoxi; Talagayev, Valerij; Balakrishnan, Balamurugan Thirukonda Subramanian; Titus, Ida; Tkatchenko, Alexandre; Treyde, Wojtek; Tricarico, Giovanni; Tripp, Austin; Vithayapalert, Nopsinth; Wang, Yingze; Wasi, Azmine Toushik; Wedig, Steffen; Wolber, Gerhard; Xu, Bofei; Zhou, Weijun; von Delft, Frank; Lee, Alpha; Kirkegaard, Karla; Sjo, Peter; Fraser, James S.; Chodera, John D.
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收藏All Roads Lead to Carbinolamine: QM/MM Study of Enzymatic C-N Bond Cleavage in Anaerobic Glycyl Radical Enzyme Choline Trimethylamine-Lyase (CutC)Hanzevacki, M.; Güven, J.J.; Hinchliffe, P.; Shaw, J.; Mey, A.S.J.S.; Fey, N.; Spencer, J.; Mulholland, A.J. 所有路径都指向卡宾醇胺:量子力学/分子力学(QM/MM)研究厌氧甘氨酸自由基酶胆碱三甲胺裂解酶(CutC)中的酶促C-N键断裂。J. Phys. Chem. B 2025, 129, 9322–9332. [Google Scholar] [CrossRef]
Hanzevacki, Marko; Guven, J. Jasmin; Hinchliffe, Philip; Shaw, John; Mey, Antonia S. J. S.; Fey, Natalie; Spencer, James; Mulholland, Adrian J.
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收藏Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs
Woods, Christopher J.; Hedges, Lester O.; Mulholland, Adrian J.; Malaisree, Maturos; Tosco, Paolo; Loeffler, Hannes H.; Suruzhon, Miroslav; Burman, Matthew; Bariami, Sofia; Bosisio, Stefano; Calabro, Gaetano; Clark, Finlay; Mey, Antonia S. J. S.; Michel, Julien
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收藏Efficient Purification of Cowpea Chlorotic Mottle Virus by a Novel Peptide Aptamer一种新型肽适配体高效纯化豇豆褪绿斑驳病毒
Tscheuschner, Georg; Ponader, Marco; Raab, Christopher; Weider, Prisca S.; Hartfiel, Reni; Kaufmann, Jan Ole; Voelzke, Jule L.; Bosc-Bierne, Gaby; Prinz, Carsten; Schwaar, Timm; Andrle, Paul; Baessler, Henriette; Nguyen, Khoa; Zhu, Yanchen; Mey, Antonia S. J. S.; Mostafa, Amr; Bald, Ilko; Weller, Michael G.
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收藏Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites
Cho, Eunice; Rosa, Margarida; Anjum, Ruhi; Mehmood, Saman; Soban, Mariya; Mujtaba, Moniza; Bux, Khair; Moin, Syed T.; Tanweer, Mohammad; Dantu, Sarath; Pandini, Alessandro; Yin, Junqi; Ma, Heng; Ramanathan, Arvind; Islam, Barira; Mey, Antonia S. J. S.; Bhowmik, Debsindhu; Haider, Shozeb
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收藏Dynamic design: manipulation of millisecond timescale motions on the energy landscape of cyclophilin A
Juarez-Jimenez, Jordi; Gupta, Arun A.; Karunanithy, Gogulan; Mey, Antonia S. J. S.; Georgiou, Charis; Ioannidis, Harris; De Simone, Alessio; Barlow, Paul N.; Hulme, Alison N.; Walkinshaw, Malcolm D.; Baldwin, Andrew J.; Michel, Julien
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