Investigating Cryptic Binding Sites by Molecular Dynamics Simulations
Kuzmanic, Antonija, Bowman, Gregory R, Juarez-Jimenez, Jordi, Michel, Julien, Gervasio, Francesco L
Published in Accounts of chemical research (17.03.2020)
Published in Accounts of chemical research (17.03.2020)
Get full text
Journal Article
Combining Machine Learning and Enhanced Sampling Techniques for Efficient and Accurate Calculation of Absolute Binding Free Energies
Evans, Rhys, Hovan, Ladislav, Tribello, Gareth A, Cossins, Benjamin P, Estarellas, Carolina, Gervasio, Francesco L
Published in Journal of chemical theory and computation (14.07.2020)
Published in Journal of chemical theory and computation (14.07.2020)
Get full text
Journal Article
Patient autoantibodies deplete postsynaptic muscle‐specific kinase leading to disassembly of the ACh receptor scaffold and myasthenia gravis in mice
Cole, R. N., Ghazanfari, N., Ngo, S. T., Gervásio, O. L., Reddel, S. W., Phillips, W. D.
Published in The Journal of physiology (01.09.2010)
Published in The Journal of physiology (01.09.2010)
Get full text
Journal Article
Protein CoAlation and antioxidant function of coenzyme A in prokaryotic cells
Tsuchiya, Yugo, Zhyvoloup, Alexander, Baković, Jovana, Thomas, Naam, Yu, Bess Yi Kun, Das, Sayoni, Orengo, Christine, Newell, Clare, Ward, John, Saladino, Giorgio, Comitani, Federico, Gervasio, Francesco L, Malanchuk, Oksana M, Khoruzhenko, Antonina I, Filonenko, Valeriy, Peak-Chew, Sew Yeu, Skehel, Mark, Gout, Ivan
Published in Biochemical journal (06.06.2018)
Published in Biochemical journal (06.06.2018)
Get more information
Journal Article
N-Acetylcysteine ameliorates skeletal muscle pathophysiology in mdx mice
Whitehead, Nicholas P., Pham, Catherine, Gervasio, Othon L., Allen, David G.
Published in The Journal of physiology (01.04.2008)
Published in The Journal of physiology (01.04.2008)
Get full text
Journal Article
The architecture of EGFR’s basal complexes reveals autoinhibition mechanisms in dimers and oligomers
Zanetti-Domingues, Laura C., Korovesis, Dimitrios, Needham, Sarah R., Tynan, Christopher J., Sagawa, Shiori, Roberts, Selene K., Kuzmanic, Antonija, Ortiz-Zapater, Elena, Jain, Purvi, Roovers, Rob C., Lajevardipour, Alireza, van Bergen en Henegouwen, Paul M. P., Santis, George, Clayton, Andrew H. A., Clarke, David T., Gervasio, Francesco L., Shan, Yibing, Shaw, David E., Rolfe, Daniel J., Parker, Peter J., Martin-Fernandez, Marisa L.
Published in Nature communications (18.10.2018)
Published in Nature communications (18.10.2018)
Get full text
Journal Article
Towards a Molecular Understanding of the Link between Imatinib Resistance and Kinase Conformational Dynamics
Lovera, Silvia, Morando, Maria, Pucheta-Martinez, Encarna, Martinez-Torrecuadrada, Jorge L, Saladino, Giorgio, Gervasio, Francesco L
Published in PLoS computational biology (01.11.2015)
Published in PLoS computational biology (01.11.2015)
Get full text
Journal Article
Drug-resistant EGFR mutations promote lung cancer by stabilizing interfaces in ligand-free kinase-active EGFR oligomers
Iyer, R. Sumanth, Needham, Sarah R., Galdadas, Ioannis, Davis, Benjamin M., Roberts, Selene K., Man, Rico C. H., Zanetti-Domingues, Laura C., Clarke, David T., Fruhwirth, Gilbert O., Parker, Peter J., Rolfe, Daniel J., Gervasio, Francesco L., Martin-Fernandez, Marisa L.
Published in Nature communications (19.03.2024)
Published in Nature communications (19.03.2024)
Get full text
Journal Article
Changes in the free-energy landscape of p38α MAP kinase through its canonical activation and binding events as studied by enhanced molecular dynamics simulations
Kuzmanic, Antonija, Sutto, Ludovico, Saladino, Giorgio, Nebreda, Angel R, Gervasio, Francesco L, Orozco, Modesto
Published in eLife (26.04.2017)
Published in eLife (26.04.2017)
Get full text
Journal Article
Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase
Schulze, Jörg O., Saladino, Giorgio, Busschots, Katrien, Neimanis, Sonja, Süß, Evelyn, Odadzic, Dalibor, Zeuzem, Stefan, Hindie, Valerie, Herbrand, Amanda K., Lisa, María-Natalia, Alzari, Pedro M., Gervasio, Francesco L., Biondi, Ricardo M.
Published in Cell chemical biology (20.10.2016)
Published in Cell chemical biology (20.10.2016)
Get full text
Journal Article
Structure and Dynamics of the EGF Receptor as Revealed by Experiments and Simulations and Its Relevance to Non-Small Cell Lung Cancer
Martin-Fernandez, Marisa L, Clarke, David T, Roberts, Selene K, Zanetti-Domingues, Laura C, Gervasio, Francesco L
Published in Cells (Basel, Switzerland) (05.04.2019)
Published in Cells (Basel, Switzerland) (05.04.2019)
Get full text
Journal Article
Pathways of Ca²⁺ entry and cytoskeletal damage following eccentric contractions in mouse skeletal muscle
Zhang, Bao-Ting, Whitehead, Nicholas P, Gervasio, Othon L, Reardon, Trent F, Vale, Molly, Fatkin, Diane, Dietrich, Alexander, Yeung, Ella W, Allen, David G
Published in Journal of applied physiology (1985) (01.06.2012)
Published in Journal of applied physiology (1985) (01.06.2012)
Get full text
Journal Article
Structural basis of connexin-36 gap junction channel inhibition
Ding, Xinyue, Aureli, Simone, Vaithia, Anand, Lavriha, Pia, Schuster, Dina, Khanppnavar, Basavraj, Li, Xiaodan, Blum, Thorsten B., Picotti, Paola, Gervasio, Francesco L., Korkhov, Volodymyr M.
Published in Cell discovery (18.06.2024)
Published in Cell discovery (18.06.2024)
Get full text
Journal Article
Bifunctional Catalysis by Natural Cinchona Alkaloids: A Mechanism Explained
Cucinotta, Clotilde S., Kosa, Monica, Melchiorre, Paolo, Cavalli, Andrea, Gervasio, Francesco L.
Published in Chemistry : a European journal (10.08.2009)
Published in Chemistry : a European journal (10.08.2009)
Get full text
Journal Article