A Hamiltonian Replica Exchange Molecular Dynamics (MD) Method for the Study of Folding, Based on the Analysis of the Stabilization Determinants of Proteins

por Meli, Massimiliano, Colombo, Giorgio
Publicado 2013

Dynamic Diagnosis of Familial Prion Diseases Supports the β2-α2 Loop as a Universal Interference Target

por Meli, Massimiliano, Gasset, Maria, Colombo, Giorgio
Publicado 2011

Are Amyloid Fibrils RNA-Traps? A Molecular Dynamics Perspective

por Meli, Massimiliano, Gasset, Maria, Colombo, Giorgio
Publicado 2018

Simple Model of Protein Energetics To Identify Ab Initio Folding Transitions from All-Atom MD Simulations of Proteins

por Meli, Massimiliano, Morra, Giulia, Colombo, Giorgio
Publicado 2020

Editorial: Computational Drug Discovery for Targeting of Protein-Protein Interfaces

por Meli, Massimiliano, Pandini, Alessandro, Morra, Giulia
Publicado 2021

Editorial: Computational drug discovery for targeting of protein-protein interfaces—Volume II

por Morra, Giulia, Meli, Massimiliano, Moroni, Elisabetta, Pandini, Alessandro
Publicado 2023

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...

por Meli, Massimiliano, Pagano, Katiuscia, Ragona, Laura, Colombo, Giorgio
Publicado 2014

Revealing Escherichia coli type II l-asparaginase active site flexible loop in its open, ligand-free conformation

por Maggi, Maristella, Meli, Massimiliano, Colombo, Giorgio, Scotti, Claudia
Publicado 2021

Methionine Sulfoxides on Prion Protein Helix-3 Switch on the α-Fold Destabilization Required for Conversion

por Colombo, Giorgio, Meli, Massimiliano, Morra, Giulia, Gabizon, Ruth, Gasset, María
Publicado 2009

A Multiscale Approach to Characterize the Early Aggregation Steps of the Amyloid-Forming Peptide GNNQQNY from the Yeast Prion Sup-35

por Nasica-Labouze, Jessica, Meli, Massimiliano, Derreumaux, Philippe, Colombo, Giorgio, Mousseau, Normand
Publicado 2011

DNA Polymerase Conformational Dynamics and the Role of Fidelity-Conferring Residues: Insights from Computational Simulations

por Meli, Massimiliano, Sustarsic, Marko, Craggs, Timothy D., Kapanidis, Achillefs N., Colombo, Giorgio
Publicado 2016

Recipes for Inducing Cold Denaturation in an Otherwise Stable Protein

por Bitonti, Angela, Puglisi, Rita, Meli, Massimiliano, Martin, Stephen R., Colombo, Giorgio, Temussi, Piero Andrea, Pastore, Annalisa
Publicado 2022

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

por Meneghini, Carlo, Leboffe, Loris, Bionducci, Monica, Fanali, Gabriella, Meli, Massimiliano, Colombo, Giorgio, Fasano, Mauro, Ascenzi, Paolo, Mobilio, Settimio
Publicado 2014

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

por Serapian, Stefano A., Marchetti, Filippo, Triveri, Alice, Morra, Giulia, Meli, Massimiliano, Moroni, Elisabetta, Sautto, Giuseppe A., Rasola, Andrea, Colombo, Giorgio
Publicado 2020

Novel PARP-1 Inhibitor Scaffolds Disclosed by a Dynamic Structure-Based Pharmacophore Approach

por Baptista, Salete J., Silva, Maria M. C., Moroni, Elisabetta, Meli, Massimiliano, Colombo, Giorgio, Dinis, Teresa C. P., Salvador, Jorge A. R.
Publicado 2017

Crystal Structure of the DFNKF Segment of Human Calcitonin Unveils Aromatic Interactions between Phenylalanines

por Bertolani, Arianna, Pizzi, Andrea, Pirrie, Lisa, Gazzera, Lara, Morra, Giulia, Meli, Massimiliano, Colombo, Giorgio, Genoni, Alessandro, Cavallo, Gabriella, Terraneo, Giancarlo, Metrangolo, Pierangelo
Publicado 2016

A protease-resistant Escherichia coli asparaginase with outstanding stability and enhanced anti-leukaemic activity in vitro

por Maggi, Maristella, Mittelman, Steven D., Parmentier, Jean Hugues, Colombo, Giorgio, Meli, Massimiliano, Whitmire, Jeannette Marie, Merrell, D. Scott, Whitelegge, Julian, Scotti, Claudia
Publicado 2017

Chemical Chaperones Modulate the Formation of Metabolite Assemblies

por Adsi, Hanaa, Levkovich, Shon A., Haimov, Elvira, Kreiser, Topaz, Meli, Massimiliano, Engel, Hamutal, Simhaev, Luba, Karidi-Heller, Shai, Colombo, Giorgio, Gazit, Ehud, Laor Bar-Yosef, Dana
Publicado 2021