Revealing Escherichia coli type II l-asparaginase active site flexible loop in its open, ligand-free conformation von Maggi, Maristella, Meli, Massimiliano, Colombo, Giorgio, Scotti, Claudia

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Dynamic diagnosis of familial prion diseases supports the β2-α2 loop as a universal interference target von Meli, Massimiliano, Gasset, Maria, Colombo, Giorgio

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Editorial: Computational drug discovery for targeting of protein-protein interfaces-Volume II von Morra, Giulia, Meli, Massimiliano, Moroni, Elisabetta, Pandini, Alessandro

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A Hamiltonian replica exchange molecular dynamics (MD) method for the study of folding, based on the analysis of the stabilization determinants of proteins von Meli, Massimiliano, Colombo, Giorgio

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Combinatorial drug design targeting multiple cancer signaling networks controlled by mitochondrial Hsp90 von Kang, Byoung Heon, Plescia, Janet, Song, Ho Young, Meli, Massimiliano, Colombo, Giorgio, Beebe, Kristin, Scroggins, Bradley, Neckers, Len, Altieri, Dario C

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A multiscale approach to characterize the early aggregation steps of the amyloid-forming peptide GNNQQNY from the yeast prion sup-35 von Nasica-Labouze, Jessica, Meli, Massimiliano, Derreumaux, Philippe, Colombo, Giorgio, Mousseau, Normand

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Crystal Structure of the DFNKF Segment of Human Calcitonin Unveils Aromatic Interactions between Phenylalanines von Bertolani, Arianna, Pizzi, Andrea, Pirrie, Lisa, Gazzera, Lara, Morra, Giulia, Meli, Massimiliano, Colombo, Giorgio, Genoni, Alessandro, Cavallo, Gabriella, Terraneo, Giancarlo, Metrangolo, Pierangelo

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Investigating the dynamic aspects of drug-protein recognition through a combination of MD and NMR analyses: implications for the development of protein-protein interaction inhibito... von Meli, Massimiliano, Pagano, Katiuscia, Ragona, Laura, Colombo, Giorgio

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Understanding ligand-based modulation of the Hsp90 molecular chaperone dynamics at atomic resolution von Colombo, Giorgio, Morra, Giulia, Meli, Massimiliano, Verkhivker, Gennady

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Editorial: Computational Drug Discovery for Targeting of Protein-Protein Interfaces von Meli, Massimiliano, Pandini, Alessandro, Morra, Giulia

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Chemical Chaperones Modulate the Formation of Metabolite Assemblies von Adsi, Hanaa, Levkovich, Shon A., Haimov, Elvira, Kreiser, Topaz, Meli, Massimiliano, Engel, Hamutal, Simhaev, Luba, Karidi-Heller, Shai, Colombo, Giorgio, Gazit, Ehud, Bar-Yosef, Dana Laor

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The five-to-six-coordination transition of ferric human serum heme-albumin is allosterically-modulated by ibuprofen and warfarin: a combined XAS and MD study von Meneghini, Carlo, Leboffe, Loris, Bionducci, Monica, Fanali, Gabriella, Meli, Massimiliano, Colombo, Giorgio, Fasano, Mauro, Ascenzi, Paolo, Mobilio, Settimio

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Novel PARP-1 Inhibitor Scaffolds Disclosed by a Dynamic Structure-Based Pharmacophore Approach von Baptista, Salete J, Silva, Maria M C, Moroni, Elisabetta, Meli, Massimiliano, Colombo, Giorgio, Dinis, Teresa C P, Salvador, Jorge A R

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Methionine sulfoxides on prion protein Helix-3 switch on the alpha-fold destabilization required for conversion von Colombo, Giorgio, Meli, Massimiliano, Morra, Giulia, Gabizon, Ruth, Gasset, María

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Are Amyloid Fibrils RNA-Traps? A Molecular Dynamics Perspective von Meli, Massimiliano, Gasset, Maria, Colombo, Giorgio

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Antileukemic Activity of Shepherdin and Molecular Diversity of Hsp90 Inhibitors von Gyurkocza, Boglarka, Plescia, Janet, Raskett, Christopher M., Garlick, David S., Lowry, Philip A., Carter, Bing Z., Andreeff, Michael, Meli, Massimiliano, Colombo, Giorgio, Altieri, Dario C.

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Simple Model of Protein Energetics To Identify Ab Initio Folding Transitions from All-Atom MD Simulations of Proteins von Meli, Massimiliano, Morra, Giulia, Colombo, Giorgio

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How the Ligand-Induced Reorganization of Protein Internal Energies Is Coupled to Conformational Events von Morra, Giulia, Meli, Massimiliano, Colombo, Giorgio

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Entropically-Driven Co-assembly of l-Histidine and l-Phenylalanine to Form Supramolecular Materials von Tiwari, Om Shanker, Aizen, Ruth, Meli, Massimiliano, Colombo, Giorgio, Shimon, Linda J W, Tal, Noam, Gazit, Ehud

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The Answer Lies in the Energy: How Simple Atomistic Molecular Dynamics Simulations May Hold the Key to Epitope Prediction on the Fully Glycosylated SARS-CoV‑2 Spike Protein von Serapian, Stefano A, Marchetti, Filippo, Triveri, Alice, Morra, Giulia, Meli, Massimiliano, Moroni, Elisabetta, Sautto, Giuseppe A, Rasola, Andrea, Colombo, Giorgio

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