Resultats de la cerca - Carloni, Paolo

Molecular Dynamics Simulations of the NGF-TrkA Domain 5 Complex and Comparison with Biological Data per Settanni, Giovanni, Cattaneo, Antonino, Carloni, Paolo

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cAMP Modulation of the Cytoplasmic Domain in the HCN2 Channel Investigated by Molecular Simulations per Berrera, Marco, Pantano, Sergio, Carloni, Paolo

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Molecular Simulation of the Binding of Nerve Growth Factor Peptide Mimics to the Receptor Tyrosine Kinase A per Berrera, Marco, Cattaneo, Antonino, Carloni, Paolo

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Protein design is a key factor for subunit–subunit association per Clementi, Cecilia, Carloni, Paolo, Maritan, Amos

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Drug resistance in HIV-1 protease: Flexibility-assisted mechanism of compensatory mutations per Piana, Stefano, Carloni, Paolo, Rothlisberger, Ursula

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DNA like-charge attraction and overcharging by divalent counterions in the presence of divalent co-ions per Nguyen, Viet Duc, Nguyen, Toan T., Carloni, Paolo

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Understanding Ligand Binding to G-Protein Coupled Receptors Using Multiscale Simulations per Alfonso-Prieto, Mercedes, Navarini, Luciano, Carloni, Paolo

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A structural model of agonist binding to the α3β4 neuronal nicotinic receptor per Costa, Valeria, Nistri, Andrea, Cavalli, Andrea, Carloni, Paolo

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Mechanism of Action of Cyclophilin A Explored by Metadynamics Simulations per Leone, Vanessa, Lattanzi, Gianluca, Molteni, Carla, Carloni, Paolo

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On the Zwitterionic Nature of Gas-Phase Peptides and Protein Ions per Marchese, Roberto, Grandori, Rita, Carloni, Paolo, Raugei, Simone

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Coordination Numbers of K(+) and Na(+) Ions Inside the Selectivity Filter of the KcsA Potassium Channel: Insights from First Principles Molecular Dynamics per Bucher, Denis, Guidoni, Leonardo, Carloni, Paolo, Rothlisberger, Ursula

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Advanced Computational Methods in Molecular Medicine per Giorgetti, Alejandro, Ruggerone, Paolo, Pantano, Sergio, Carloni, Paolo

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Open-Boundary Molecular Mechanics/Coarse-Grained Framework for Simulations of Low-Resolution G-Protein-Coupled Receptor–Ligand Complexes per Tarenzi, Thomas, Calandrini, Vania, Potestio, Raffaello, Carloni, Paolo

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Coevolutionary data-based interaction networks approach highlighting key residues across protein families: The case of the G-protein coupled receptors per Baldessari, Filippo, Capelli, Riccardo, Carloni, Paolo, Giorgetti, Alejandro

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Sliding of Alkylating Anticancer Drugs along the Minor Groove of DNA: New Insights on Sequence Selectivity per Vargiu, Attilio V., Ruggerone, Paolo, Magistrato, Alessandra, Carloni, Paolo

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Dissociation of minor groove binders from DNA: insights from metadynamics simulations per Vargiu, Attilio Vittorio, Ruggerone, Paolo, Magistrato, Alessandra, Carloni, Paolo

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Structural Determinants of the Prion Protein N-Terminus and Its Adducts with Copper Ions per Sánchez-López, Carolina, Rossetti, Giulia, Quintanar, Liliana, Carloni, Paolo

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Role and Perspective of Molecular Simulation-Based Investigation of RNA–Ligand Interaction: From Small Molecules and Peptides to Photoswitchable RNA Binding per Berdnikova, Daria V., Carloni, Paolo, Krauß, Sybille, Rossetti, Giulia

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Role of protein frame and solvent for the redox properties of azurin from Pseudomonas aeruginosa per Cascella, Michele, Magistrato, Alessandra, Tavernelli, Ivano, Carloni, Paolo, Rothlisberger, Ursula

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Engineered human angiogenin mutations in the placental ribonuclease inhibitor complex for anticancer therapy: Insights from enhanced sampling simulations per Cong, Xiaojing, Cremer, Christian, Nachreiner, Thomas, Barth, Stefan, Carloni, Paolo

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