Publications

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2012

Effective Quality-of-Service Policy for Capacity High-Performance Computing Systems

High Performance Computing and Communication 2012 IEEE 9th International Conference on Embedded Software and Systems (HPCC-ICESS), 2012 IEEE 14th International Conference on

A. Jokanovic, J C. Sancho, J. Labarta, G. Rodriguez, and C. Minkenberg
DESMOND European hands-on workshop

2012
EMBO Workshop in Computational biology (http://events.embo.org/12-comp-bio/)

2012
BioNMR http://mmb.irbbarcelona.org/BioNMR2012
Adjoint-based nonlinear optimization of complex systems governed by PDEs using HPC techniques: implementation issues and examples

3rd Conference on Optimization Methods and Software, Crete, Greece

O. Peredo, M. Vázquez, and G.. Houzeaux
Multiple-Point Geostatistical Simulation Based on Genetic Algorithms Implemented in a Shared-Memory Supercomputer

Geostatistics Oslo 2012

O. Peredo, and J. M. Ortiz
Using QM/MM Methods for the Exploration of Electron Transfer Pathways

Current Inorganic Chemistry

F. Lucas, D. Masone, S. Saen-oon, F. Wallrapp, and V. Guallar
A Multilevel Strategy for the Exploration of the Conformational Flexibility of Small Molecules

J. Chem. Theory Comput

F. Forti, C. N. Cavasotto, M. Orozco, X. Barril, and J. F. Luque
Application of Drug-Perturbed Essential Dynamics/Molecular Dynamics (ED/MD) to Virtual Screening and Rational Drug Design

J. Chem. Theory Comput.

R. Chaudhuri, C. Anthony Laughton, O. Carrillo, and M. Orozco
Small Molecule Docking from Theoretical Structural Models

Computational Modeling of Biological Systems Biological and Medical Physics, Biomedical Engineering

E. MariaNovoa, L R. de Pouplana, and M. Orozco

Pages