Nucleoside inhibitors of tick-borne encephalitis virus L Eyer, JJ Valdés, VA Gil, R Nencka, H Hřebabecký, M Šála, J Salát, ... Antimicrobial Agents and Chemotherapy, 2015 | 82 | 2015 |
Monte Carlo free ligand diffusion with Markov state model analysis and absolute binding free energy calculations R Takahashi, VA Gil, V Guallar Journal of chemical theory and computation 10 (1), 282-288, 2014 | 50 | 2014 |
Computational prediction of HIV-1 resistance to protease inhibitors A Hosseini, A Alibés, M Noguera-Julian, V Gil, R Paredes, R Soliva, ... Journal of Chemical Information and Modeling 56 (5), 915-923, 2016 | 24 | 2016 |
Exploring binding mechanisms in nuclear hormone receptors by Monte Carlo and X-ray-derived motions C Grebner, D Lecina, V Gil, J Ulander, P Hansson, A Dellsen, C Tyrchan, ... Biophysical journal 112 (6), 1147-1156, 2017 | 21 | 2017 |
pyRMSD: a Python package for efficient pairwise RMSD matrix calculation and handling VA Gil, V Guallar Bioinformatics 29 (18), 2363-2364, 2013 | 15 | 2013 |
pyProCT: automated cluster analysis for structural bioinformatics VA Gil, V Guallar Journal of Chemical Theory and Computation 10 (8), 3236-3243, 2014 | 10 | 2014 |
An all-atom, active site exploration of antiviral drugs that target Flaviviridae polymerases JJ Valdés, VA Gil, PT Butterill, D Růžek Journal of General Virology 97 (10), 2552-2565, 2016 | 8 | 2016 |
Enhancing backbone sampling in Monte Carlo simulations using internal coordinates normal mode analysis VA Gil, D Lecina, C Grebner, V Guallar Bioorganic & Medicinal Chemistry 24 (20), 4855-4866, 2016 | 1 | 2016 |
Algorithmic and Technical Improvements for Next Generation Drug Design Software Tools VA Gil Sepúlveda Universitat de Barcelona, 2016 | | 2016 |
Implementation of an internal coordinates anisotropic network model in PELE VA Gil, V Guallar BSC Doctoral Symposium (2nd: 2015: Barcelona), 101-102, 2015 | | 2015 |
Simulador de un robot humanoide VA Gil Sepúlveda Universitat Politècnica de Catalunya, 2007 | | 2007 |