Design and application of implicit solvent models in biomolecular simulations von Kleinjung, Jens, Fraternali, Franca

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Structural Properties of Green Tea Catechins von Botten, Dominic, Fugallo, Giorgia, Fraternali, Franca, Molteni, Carla

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Combining machine learning systems and multiple docking simulation packages to improve docking prediction reliability for network pharmacology von Hsin, Kun-Yi, Ghosh, Samik, Kitano, Hiroaki

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Single-Cell Transcriptomic Analyses Define Distinct Peripheral B Cell Subsets and Discrete Development Pathways von Stewart, Alexander, Ng, Joseph Chi-Fung, Wallis, Gillian, Tsioligka, Vasiliki, Fraternali, Franca, Dunn-Walters, Deborah K

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Epitope profiling using computational structural modelling demonstrated on coronavirus-binding antibodies von Robinson, Sarah A, Raybould, Matthew I J, Schneider, Constantin, Wong, Wing Ki, Marks, Claire, Deane, Charlotte M

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Predicting protein-protein interactions from primary protein sequences using a novel multi-scale local feature representation scheme and the random forest von You, Zhu-Hong, Chan, Keith C C, Hu, Pengwei

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Pathogenic missense protein variants affect different functional pathways and proteomic features than healthy population variants von Laddach, Anna, Ng, Joseph Chi Fung, Fraternali, Franca

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Characterisation of HOIP RBR E3 ligase conformational dynamics using integrative modelling von Kausas, Marius, Esposito, Diego, Rittinger, Katrin, Fraternali, Franca

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A multi-label classifier for predicting the subcellular localization of gram-negative bacterial proteins with both single and multiple sites von Xiao, Xuan, Wu, Zhi-Cheng, Chou, Kuo-Chen

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Detection of allosteric signal transmission by information‐theoretic analysis of protein dynamics von Pandini, Alessandro, Fornili, Arianna, Fraternali, Franca, Kleinjung, Jens

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Pan-cancer transcriptomic analysis dissects immune and proliferative functions of APOBEC3 cytidine deaminases von Ng, Joseph C F, Quist, Jelmar, Grigoriadis, Anita, Malim, Michael H, Fraternali, Franca

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The ELBA force field for coarse-grain modeling of lipid membranes von Orsi, Mario, Essex, Jonathan W

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Structural analyses of the PKA RIIβ holoenzyme containing the oncogenic DnaJB1-PKAc fusion protein reveal protomer asymmetry and fusion-induced allosteric perturbations in fibrolam... von Lu, Tsan-Wen, Aoto, Phillip C, Weng, Jui-Hung, Nielsen, Cole, Cash, Jennifer N, Hall, James, Zhang, Ping, Simon, Sanford M, Cianfrocco, Michael A, Taylor, Susan S

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Prediction of ubiquitination sites by using the composition of k-spaced amino acid pairs von Chen, Zhen, Chen, Yong-Zi, Wang, Xiao-Feng, Wang, Chuan, Yan, Ren-Xiang, Zhang, Ziding

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The Aurora B specificity switch is required to protect from non-disjunction at the metaphase/anaphase transition von Kelly, Joanna R., Martini, Silvia, Brownlow, Nicola, Joshi, Dhira, Federico, Stefania, Jamshidi, Shirin, Kjaer, Svend, Lockwood, Nicola, Rahman, Khondaker Miraz, Fraternali, Franca, Parker, Peter J., Soliman, Tanya N.

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ALIX Regulates Tumor-Mediated Immunosuppression by Controlling EGFR Activity and PD-L1 Presentation von Monypenny, James, Milewicz, Hanna, Flores-Borja, Fabian, Weitsman, Gregory, Cheung, Anthony, Chowdhury, Ruhe, Burgoyne, Thomas, Arulappu, Appitha, Lawler, Katherine, Barber, Paul R., Vicencio, Jose M., Keppler, Melanie, Wulaningsih, Wahyu, Davidson, Sean M., Fraternali, Franca, Woodman, Natalie, Turmaine, Mark, Gillett, Cheryl, Franz, Dafne, Quezada, Sergio A., Futter, Clare E., Von Kriegsheim, Alex, Kolch, Walter, Vojnovic, Borivoj, Carlton, Jeremy G., Ng, Tony

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Inhibitor-induced HER2-HER3 heterodimerisation promotes proliferation through a novel dimer interface von Claus, Jeroen, Patel, Gargi, Autore, Flavia, Colomba, Audrey, Weitsman, Gregory, Soliman, Tanya N, Roberts, Selene, Zanetti-Domingues, Laura C, Hirsch, Michael, Collu, Francesca, George, Roger, Ortiz-Zapater, Elena, Barber, Paul R, Vojnovic, Boris, Yarden, Yosef, Martin-Fernandez, Marisa L, Cameron, Angus, Fraternali, Franca, Ng, Tony, Parker, Peter J

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Assisted Design of Antibody and Protein Therapeutics (ADAPT) von Vivcharuk, Victor, Baardsnes, Jason, Deprez, Christophe, Sulea, Traian, Jaramillo, Maria, Corbeil, Christopher R, Mullick, Alaka, Magoon, Joanne, Marcil, Anne, Durocher, Yves, O'Connor-McCourt, Maureen D, Purisima, Enrico O

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Dynamically-driven enhancement of the catalytic machinery of the SARS 3C-like protease by the S284-T285-I286/A mutations on the extra domain von Lim, Liangzhong, Shi, Jiahai, Mu, Yuguang, Song, Jianxing

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Tissue-specific shaping of the TCR repertoire and antigen specificity of iNKT cells von Jimeno, Rebeca, Lebrusant-Fernandez, Marta, Margreitter, Christian, Lucas, Beth, Veerapen, Natacha, Kelly, Gavin, Besra, Gurdyal S, Fraternali, Franca, Spencer, Jo, Anderson, Graham, Barral, Patricia

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