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New perspectives in cancer drug development: computational advances with an eye to design 1-gen-2021 Castelli, M.; Serapian, S. A.; Marchetti, F.; Triveri, A.; Pirota, V.; Torielli, L.; Collina, S.; Doria, F.; Freccero, M.; Colombo, G.
Bow to the enemy: How flexibility of host protein receptors can favor SARS-CoV-2 1-gen-2021 Serapian, S. A.; Colombo, G.
Targeting the mitochondrial chaperone TRAP1: strategies and therapeutic perspectives 1-gen-2021 Serapian, S. A.; Sanchez-Martin, C.; Moroni, E.; Rasola, A.; Colombo, G.
The tumor suppressor folliculin inhibits lactate dehydrogenase A and regulates the Warburg effect 1-gen-2021 Woodford, Mark R.; Baker-Williams, Alexander J.; Sager, Rebecca A.; Backe, Sarah J.; Blanden, Adam R.; Hashmi, Fiza; Kancherla, Priyanka; Gori, Alessandro; Loiselle, David R.; Castelli, Matteo; Serapian, Stefano A.; Colombo, Giorgio; Haystead, Timothy A.; Jensen, Sandra M.; Stetler-Stevenson, William G.; Loh, Stewart N.; Schmidt, Laura S.; Marston Linehan, W.; Bah, Alaji; Bourboulia, Dimitra; Bratslavsky, Gennady; Mollapour, Mehdi
Atomistic Simulations of the Mechanisms of the Poorly Catalytic Mitochondrial Chaperone Trap1: Insights into the Effects of Structural Asymmetry on Reactivity 1-gen-2021 Serapian, S. A.; Moroni, E.; Ferraro, M.; Colombo, G.
The tumor suppressor folliculin inhibits lactate dehydrogenase A and regulates the Warburg effect 1-gen-2021 Woodford, M. R.; Baker-Williams, A. J.; Sager, R. A.; Backe, S. J.; Blanden, A. R.; Hashmi, F.; Kancherla, P.; Gori, A.; Loiselle, D. R.; Castelli, M.; Serapian, S. A.; Colombo, G.; Haystead, T. A.; Jensen, S. M.; Stetler-Stevenson, W. G.; Loh, S. N.; Schmidt, L. S.; Linehan, W. M.; Bah, A.; Bourboulia, D.; Bratslavsky, G.; Mollapour, M.
SARS-CoV-2 Spike Protein Mutations and Escape from Antibodies: A Computational Model of Epitope Loss in Variants of Concern 1-gen-2021 Triveri, A.; Serapian, S. A.; Marchetti, F.; Doria, F.; Pavoni, S.; Cinquini, F.; Moroni, E.; Rasola, A.; Frigerio, F.; Colombo, G.
Protein Allostery and Ligand Design: Computational Design Meets Experiments to Discover Novel Chemical Probes 1-gen-2022 Triveri, Alice; Sanchez-Martin, Carlos; Torielli, Luca; Serapian, Stefano A; Marchetti, Filippo; D'Acerno, Giovanni; Pirota, Valentina; Castelli, Matteo; Moroni, Elisabetta; Ferraro, Mariarosaria; Quadrelli, Paolo; Rasola, Andrea; Colombo, Giorgio
Path to Actinorhodin: Regio- and Stereoselective Ketone Reduction by a Type II Polyketide Ketoreductase Revealed in Atomistic Detail 1-gen-2022 Serapian, Stefano A; Crosby, John; Crump, Matthew P; van der Kamp, Marc W
The templating effect of diammonium cations on the structural and optical properties of lead bromide perovskites: a guide to design broad light emitters 1-gen-2022 Chiara, R; Morana, M; Folpini, G; Olivati, A; Albini, B; Galinetto, P; Chelazzi, L; Ciattini, S; Fantechi, E; Serapian, Sa; Petrozza, A; Malavasi, L
Phosphorylation of the Hsp90 co-chaperone Hop changes its conformational dynamics and biological function 1-gen-2022 Castelli, Matteo; Bhattacharya, Kaushik; Abboud, Ernest; Serapian, Stefano A.; Picard, Didier; Colombo, Giorgio
A Fe2+-dependent self-inhibited state influences the druggability of human collagen lysyl hydroxylase (LH/PLOD) enzymes 1-gen-2022 Scietti, Luigi; Moroni, Elisabetta; Mattoteia, Daiana; Fumagalli, Marco; De Marco, Matteo; Negro, Lisa; Chiapparino, Antonella; Serapian, Stefano A.; De Giorgi, Francesca; Faravelli, Silvia; Colombo, Giorgio; Forneris, Federico
Molecular Mechanisms of Chaperone Directed Protein Folding: Insights from Atomistic Simulations 1-gen-2023 Castelli, Matteo; Magni, Andrea; Bonollo, Giorgio; Pavoni, Silvia; Frigerio, Francesco; Oliveira, A Sofia F; Cinquini, Fabrizio; Serapian, Stefano A; Colombo, Giorgio
NLRP3 monomer functional dynamics: From the effects of allosteric binding to implications for drug design 1-gen-2023 Casali, Emanuele; Serapian, Stefano A.; Gianquinto, Eleonora; Castelli, Matteo; Bertinaria, Massimo; Spyrakis, Francesca; Colombo, Giorgio
Integrating Protein Interaction Surface Prediction with a Fragment-Based Drug Design: Automatic Design of New Leads with Fragments on Energy Surfaces 1-gen-2023 Torielli, Luca; Serapian, Stefano A; Mussolin, Lara; Moroni, Elisabetta; Colombo, Giorgio
Gas permeation through mechanically resistant self-standing membranes of a neat amorphous organic cage 1-gen-2023 Mobili, Riccardo; La Cognata, Sonia; Marcello, Monteleone; Longo, Mariagiulia; Fuoco, Alessio; Serapian, Stefano Artin; Vigani, Barbara; Milanese, Chiara; Armentano, Donatella; Jansen, Johannes Carolus; Amendola, Valeria
Decrypting Allostery in Membrane-Bound K-Ras4B Using Complementary In Silico Approaches Based on Unbiased Molecular Dynamics Simulations 1-gen-2023 Castelli, Matteo; Marchetti, Filippo; Osuna, Sílvia; Oliveira, A. Sofia F.; Mulholland, Adrian J.; Serapian, Stefano A.; Colombo, Giorgio
Computational Epitope Prediction and Design for Antibody Development and Detection 1-gen-2023 Capelli, Riccardo; Serapian, Stefano A.; Colombo, Giorgio
Phosphorylation of the Hsp90 Co-Chaperone Hop Changes its Conformational Dynamics and Biological Function 1-gen-2023 Castelli, Matteo; Bhattacharya, Kaushik; Abboud, Ernest; Serapian, Stefano A; Picard, Didier; Colombo, Giorgio
Conformational Behavior of SARS-Cov-2 Spike Protein Variants: Evolutionary Jumps in Sequence Reverberate in Structural Dynamic Differences 1-gen-2023 Triveri, Alice; Casali, Emanuele; Frasnetti, Elena; Doria, Filippo; Frigerio, Francesco; Cinquini, Fabrizio; Pavoni, Silvia; Moroni, Elisabetta; Marchetti, Filippo; Serapian, Stefano A.; Colombo, Giorgio
Mostrati risultati da 21 a 40 di 40
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