Ignasi Buch, PhD student
<ignasi.buch AT upf DOT es>
Ph. +34 93 316 0505
Research Unit on Biomedical Informatics (GRIB-UPF/IMIM)
Universitat Pompeu Fabra
Barcelona Biomedical Research Park (PRBB)
C/ Dr Aiguader 88, 08003, Barcelona, Spain
Profile
Currently a PhD student in Biomedicine at the Universitat Pompeu Fabra (UPF) in Barcelona. He has a degree in Biotechnology from the Universitat Autònoma of Barcelona and a Masters in Bioinformatics for Health Sciences by UPF for which he was recipient of a fellowship from the Fundació 'La Caixa' and their Fellowship Program for Masters in Spain. His MSc project was titled "A distributed computing system for high-throughput molecular dynamics simulations".
http://www.linkedin.com/in/ignasibuch
Publications
- I. Buch, T. Giorgino and G. De Fabritiis. Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations,
Proc. Natl. Acad. Sci. USA, 108 (25), 10184-10189 (2011)
- I. Buch, K. Sadiq and G. De Fabritiis. Optimized potential of mean force calculations of standard binding free energy,
J. Chem. Theory Comput., 7, 1765–1772 (2011)
- I. Buch, M.J. Harvey, T. Giorgino, D.P. Anderson and G. De Fabritiis. High-throughput all-atom molecular dynamics simulations using distributed computing.
J. Chem. Inf. Model, 50 (3) 397-403 (2010)
Communications
Talks
- (Prize-awarded poster presentation)
Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations // VIII European Workshop in Drug Design, Siena (Italy), 22-28th May 2011.
- (Prize-awarded presentation)
Energetics, kinetics and binding pathway reconstruction for enzyme-inhibitor complex from high-throughput molecular dynamics simulations // UK Young Modellers Forum 2010, London (UK), 10th December 2010.
Energetics, kinetics and binding pathway reconstruction for enzyme-inhibitor complex from high-throughput molecular dynamics simulations // IV Meeting on High Performance Computing in Molecular Simulations, Madrid (Spain), 30th September-1st October 2010.
- (1st Prize-awarded presentation)
Reliable and accurate prediction of ligand binding by high-throughput molecular dynamics simulations // XVIII Jornades de Biologia Molecular, Barcelona (Spain), 29-30th June 2010.
- (1st Prize-awarded presentation)
High-throughput all-atom molecular dynamics simulations using distributed computing (slides.pdf) // 24th Molecular Modeling Workshop, Erlangen (Germany), 15-16th March 2010.
Posters
Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations // VIII European Workshop in Drug Design, Siena (Italy), 22-28th May 2011.
A distributed computing system for high-throughput calculations of free energies of binding using molecular dynamics simulations (poster.pdf) // Expanding the frontiers of molecular dynamics simulations in biology, Barcelona (Spain), 23-25th November 2009.