Multiple Routes and Milestones in the Folding of HIV–1 Protease Monomer

por Bonomi, Massimiliano, Barducci, Alessandro, Gervasio, Francesco L., Parrinello, Michele
Publicado 2010

Importance of the Force Field Choice in Capturing Functionally Relevant Dynamics in the von Willebrand Factor

por Kuzmanic, Antonija, Pritchard, Ruth B., Hansen, D. Flemming, Gervasio, Francesco L.
Publicado 2019

Aromatic side-chain flips orchestrate the conformational sampling of functional loops in human histone deacetylase 8

por Shukla, Vaibhav Kumar, Siemons, Lucas, Gervasio, Francesco L., Hansen, D. Flemming
Publicado 2021

Understanding Ligand Binding Selectivity in a Prototypical GPCR Family

por Mattedi, Giulio, Deflorian, Francesca, Mason, Jonathan S., de Graaf, Chris, Gervasio, Francesco L.
Publicado 2019

Insight into the Folding Inhibition of the HIV-1 Protease by a Small Peptide

por Bonomi, Massimiliano, Gervasio, Francesco L., Tiana, Guido, Provasi, Davide, Broglia, Ricardo A., Parrinello, Michele
Publicado 2007

Changes in the free-energy landscape of p38α MAP kinase through its canonical activation and binding events as studied by enhanced molecular dynamics simulations

por Kuzmanic, Antonija, Sutto, Ludovico, Saladino, Giorgio, Nebreda, Angel R, Gervasio, Francesco L, Orozco, Modesto
Publicado 2017

The SH2 Domain Regulates c-Abl Kinase Activation by a Cyclin-Like Mechanism and Remodulation of the Hinge Motion

por Dölker, Nicole, Górna, Maria W., Sutto, Ludovico, Torralba, Antonio S., Superti-Furga, Giulio, Gervasio, Francesco L.
Publicado 2014

Combining Machine Learning and Enhanced Sampling Techniques for Efficient and Accurate Calculation of Absolute Binding Free Energies

por Evans, Rhys, Hovan, Ladislav, Tribello, Gareth A., Cossins, Benjamin P., Estarellas, Carolina, Gervasio, Francesco L.
Publicado 2020

Towards a Molecular Understanding of the Link between Imatinib Resistance and Kinase Conformational Dynamics

por Lovera, Silvia, Morando, Maria, Pucheta-Martinez, Encarna, Martinez-Torrecuadrada, Jorge L., Saladino, Giorgio, Gervasio, Francesco L.
Publicado 2015

Structure and Dynamics of the EGF Receptor as Revealed by Experiments and Simulations and Its Relevance to Non-Small Cell Lung Cancer

por Martin-Fernandez, Marisa L., Clarke, David T., Roberts, Selene K., Zanetti-Domingues, Laura C., Gervasio, Francesco L.
Publicado 2019

Defining the architecture of KPC-2 Carbapenemase: identifying allosteric networks to fight antibiotics resistance

por Galdadas, Ioannis, Lovera, Silvia, Pérez-Hernández, Guillermo, Barnes, Melissa D., Healy, Jess, Afsharikho, Hamidreza, Woodford, Neil, Bonomo, Robert A., Gervasio, Francesco L., Haider, Shozeb
Publicado 2018

The Effect of Mutations on Drug Sensitivity and Kinase Activity of Fibroblast Growth Factor Receptors: A Combined Experimental and Theoretical Study

por Bunney, Tom D., Wan, Shunzhou, Thiyagarajan, Nethaji, Sutto, Ludovico, Williams, Sarah V., Ashford, Paul, Koss, Hans, Knowles, Margaret A., Gervasio, Francesco L., Coveney, Peter V., Katan, Matilda
Publicado 2015

Protein CoAlation and antioxidant function of coenzyme A in prokaryotic cells

por 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
Publicado 2018

Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus

por Muñoz, Inés G., Prieto, Jesús, Subramanian, Sunita, Coloma, Javier, Redondo, Pilar, Villate, Maider, Merino, Nekane, Marenchino, Marco, D'Abramo, Marco, Gervasio, Francesco L., Grizot, Sylvestre, Daboussi, Fayza, Smith, Julianne, Chion-Sotinel, Isabelle, Pâques, Frédéric, Duchateau, Philippe, Alibés, Andreu, Stricher, François, Serrano, Luis, Blanco, Francisco J., Montoya, Guillermo
Publicado 2011

The architecture of EGFR’s basal complexes reveals autoinhibition mechanisms in dimers and oligomers

por 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.
Publicado 2018

11th German Conference on Chemoinformatics (GCC 2015): Fulda, Germany. 8–10 November 2015

por Fechner, Uli, de Graaf, Chris, Torda, Andrew E., Güssregen, Stefan, Evers, Andreas, Matter, Hans, Hessler, Gerhard, Richmond, Nicola J., Schmidtke, Peter, Segler, Marwin H. S., 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, Boeckler, Frank M., 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, Ntie-Kang, Fidele, Simoben, Conrad V., Lifongo, Lydia L., Ntie-Kang, Fidele, 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, Sommer, Kai, Rarey, Matthias, Kirchmair, Johannes, Proschak, Eugen, Weber, Julia, Moser, Daniel, Kalinowski, Lena, Achenbach, Janosch, Mackey, Mark, Cheeseright, Tim, Renner, Gerrit, Renner, Gerrit, Schmidt, Torsten C., Schram, Jürgen, Egelkraut-Holtus, Marion, van Oeyen, Albert, Kalliokoski, Tuomo, Fourches, Denis, Ibezim, Akachukwu, Mbah, Chika J., Adikwu, Umale M., Nwodo, Ngozi J., Steudle, Alexander, Masek, Brian B., Nagy, Stephan, Baker, David, Soltanshahi, Fred, Dorfman, Roman, Dubrucq, Karen, Patel, Hitesh, Koch, Oliver, Mrugalla, Florian, Kast, Stefan M., Ain, Qurrat U., Fuchs, Julian E., Owen, Robert M., Omoto, Kiyoyuki, Torella, Rubben, Pryde, David C., Glen, Robert, Bender, Andreas, Hošek, Petr, Spiwok, Vojtěch, Mervin, Lewis H., Barrett, Ian, Firth, Mike, Murray, David C., McWilliams, Lisa, Cao, Qing, Engkvist, Ola, Warszycki, Dawid, Śmieja, Marek, Bojarski, Andrzej J., Aniceto, Natalia, Freitas, Alex, Ghafourian, Taravat, Herrmann, Guido, Eigner-Pitto, Valentina, Naß, Alexandra, Kurczab, Rafał, Bojarski, Andrzej J., Lange, Andreas, Günther, Marcel B., Hennig, Susanne, Büttner, Felix M., Schall, Christoph, Sievers-Engler, Adrian, Ansideri, Francesco, Koch, Pierre, Stehle, Thilo, Laufer, Stefan, Böckler, Frank M., Zdrazil, Barbara, Montanari, Floriane, Ecker, Gerhard F., Grebner, Christoph, Hogner, Anders, Ulander, Johan, Edman, Karl, Guallar, Victor, Tyrchan, Christian, Ulander, Johan, Tyrchan, Christian, Klute, Wolfgang, Bergström, Fredrik, Kramer, Christian, Nguyen, Quoc Dat, Frach, Roland, Kibies, Patrick, Strohfeldt, Steven, Böttcher, Saraphina, Pongratz, Tim, Horinek, Dominik, Kast, Stefan M., Rupp, Bernd, Al-Yamori, Raed, Lisurek, Michael, Kühne, Ronald, Furtado, Filipe, van den Broek, Karina, Wessjohann, Ludger, Mathea, Miriam, Baumann, Knut, Mohamad-Zobir, Siti Zuraidah, Fu, Xianjun, Fan, Tai-Ping, Bender, Andreas, Kuhn, Maximilian A., Sotriffer, Christoph A., Zoufir, Azedine, Li, Xitong, Mervin, Lewis, Berg, Ellen, Polokoff, Mark, Ihlenfeldt, Wolf D., Ihlenfeldt, Wolf D., Pretzel, Jette, Alhalabi, Zayan, Fraczkiewicz, Robert, Waldman, Marvin, Clark, Robert D., Shaikh, Neem, Garg, Prabha, Kos, Alexander, Himmler, Hans-Jürgen, Sandmann, Achim, Jardin, Christophe, Sticht, Heinrich, Steinbrecher, Thomas B., Dahlgren, Markus, Cappel, Daniel, Lin, Teng, Wang, Lingle, Krilov, Goran, Abel, Robert, Friesner, Richard, Sherman, Woody, Pöhner, Ina A., Panecka, Joanna, Wade, Rebecca C., Bietz, Stefan, Schomburg, Karen T., Hilbig, Matthias, Rarey, Matthias, Jäger, Christian, Wieczorek, Vivien, Westerhoff, Lance M., Borbulevych, Oleg Y., Demuth, Hans-Ulrich, Buchholz, Mirko, Schmidt, Denis, Rickmeyer, Thomas, Krotzky, Timo, Kolb, Peter, Mittal, Sumit, Sánchez-García, Elsa, Nogueira, Mauro S., Oliveira, Tiago B., da Costa, Fernando B., Schmidt, Thomas J.
Publicado 2016