| Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations I Buch, T Giorgino, G De Fabritiis Proceedings of the National Academy of Sciences 108 (25), 10184-10189, 2011 | 693 | 2011 |
| High-throughput all-atom molecular dynamics simulations using distributed computing I Buch, MJ Harvey, T Giorgino, DP Anderson, G De Fabritiis Journal of chemical information and modeling 50 (3), 397-403, 2010 | 207 | 2010 |
| Optimized potential of mean force calculations for standard binding free energies I Buch, SK Sadiq, G De Fabritiis Journal of Chemical Theory and Computation 7 (6), 1765-1772, 2011 | 56 | 2011 |
| Visualizing the induced binding of SH2-phosphopeptide T Giorgino, I Buch, G De Fabritiis Journal of chemical theory and computation 8 (4), 1171-1175, 2012 | 27 | 2012 |
| Computational modeling of an epidermal growth factor receptor single-mutation resistance to cetuximab in colorectal cancer treatment I Buch, N Ferruz, G De Fabritiis Journal of chemical information and modeling 53 (12), 3123-3126, 2013 | 16 | 2013 |
| Computational exploration of the binding mode of heme‐dependent stimulators into the active catalytic domain of soluble guanylate cyclase L Agulló, I Buch, H Gutiérrez‐de‐Terán, D Garcia‐Dorado, J Villà‐Freixa Proteins: Structure, Function, and Bioinformatics 84 (10), 1534-1548, 2016 | 6 | 2016 |
| Computational exploration of the binding mode of the heme-dependent activator YC-1 into the active catalytic site of soluble guanylate cyclase L Agulló, I Buch, HG de Terán, G de Fabritis, D Garcia-Dorado, ... BMC Pharmacology and Toxicology 16, 1-1, 2015 | | 2015 |
| System preparation I Buch, N Ferruz, G De Fabritiis | | |
| Binding of the heme-Dependent activator YC-1 into the active catalytic DOMAIN of soluble guanylate cyclase L Agulló, I Buch, HG de Terán, G de Fabritis, D Garcia-Dorado, ... | | |
| Computational modeling of an EGFR single-mutation re-sistance to cetuximab in colorectal cancer treatment I Buch, N Ferruz, G De Fabritiis | | |
