Atomistic mechanisms of human TRPA1 activation by electrophile irritants through molecular dynamics simulation and mutual information analysis

por Habgood, Matthew, Seiferth, David, Zaki, Afroditi-Maria, Alibay, Irfan, Biggin, Philip C.
Publicado 2022

BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe

por Günther, Judith, Hillig, Roman C., Zimmermann, Katja, Kaulfuss, Stefan, Lemos, Clara, Nguyen, Duy, Rehwinkel, Hartmut, Habgood, Matthew, Lechner, Christian, Neuhaus, Roland, Ganzer, Ursula, Drewes, Mark, Chai, Jijie, Bouché, Léa
Publicado 2022

Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test

por Bardwell, David A., Adjiman, Claire S., Arnautova, Yelena A., Bartashevich, Ekaterina, Boerrigter, Stephan X. M., Braun, Doris E., Cruz-Cabeza, Aurora J., Day, Graeme M., Della Valle, Raffaele G., Desiraju, Gautam R., van Eijck, Bouke P., Facelli, Julio C., Ferraro, Marta B., Grillo, Damian, Habgood, Matthew, Hofmann, Detlef W. M., Hofmann, Fridolin, Jose, K. V. Jovan, Karamertzanis, Panagiotis G., Kazantsev, Andrei V., Kendrick, John, Kuleshova, Liudmila N., Leusen, Frank J. J., Maleev, Andrey V., Misquitta, Alston J., Mohamed, Sharmarke, Needs, Richard J., Neumann, Marcus A., Nikylov, Denis, Orendt, Anita M., Pal, Rumpa, Pantelides, Constantinos C., Pickard, Chris J., Price, Louise S., Price, Sarah L., Scheraga, Harold A., van de Streek, Jacco, Thakur, Tejender S., Tiwari, Siddharth, Venuti, Elisabetta, Zhitkov, Ilia K.
Publicado 2011