Toward an integrated computational approach for the description of localizedphysico-chemical processes involving biomolecules Vincenzo Barone, Giuseppe Brancato and Roberto Improta
1
DNA replication. Polymerase-induced steric fit in concert with Watson-Crick hydrogen bonding Célia Fonseca Guerra and F. Matthias Bickelhaupt
25
Role of copper ion in the structural and dynamic properties of prion protein Tiziana Marino, Nino Russo, Marirosa Toscano, Stefano Alcaro and Francesco Ortuso
39
The challenge of metalloproteins: Some applications Alfons Nonell-Canals, Jordi Villà-Freixa and Feliu Maseras
61
Computational alanine scanning mutagenesis Irina S. Moreira and Pedro A. Fernandes
81
The ins and outs of QM/MM calculations: Current status and future challenges Sérgio Filipe Sousa and Maria João Ramos
101
