In my dissertation, we evaluate the current landscape of computation, using as a case study a high-impact problem for society as virtual screening. Virtual screening is a computational tool extensively used for drug discovery. The study has covered all processing levels, starting with an extensive analysis of the different commercially available alternatives at chip level, through their evaluation in a cluster environment, to scale to cloud computing and volunteer computing levels.Resumen de la tesis realizado por el autor.Facultad de Informátic
The ever-increasing amount of computational power available has made it possible to use docking prog...
The paper describes experiences from building and cloudification of the in-silico research platform ...
Virtual screening is one of the early stages that aims to select a set of promising ligands from a ...
In my dissertation, we evaluate the current landscape of computation, using as a case study a high-i...
Virtual Screening (VS) methods can considerably aid drug discovery research, predicting how ligands ...
Bioinformatics is an interdisciplinary research field that develops tools for the analysis of large ...
Introduction: Computational chemistry dramatically accelerates the drug discovery process and high-p...
PCSV, article in press in Parallel ComputingLarge scale grids for in silico drug discovery open oppo...
High-performance computing (HPC) has become a state strategic technology in a number of countries. O...
Finding a novel drug is a very long and complex procedure. Using computer simulations, it is possibl...
Large-scale computing technologies have enabled high-throughput virtual screening involving thousand...
The work in this dissertation explores the use of massive computational power available through mode...
Bioinformatics is an interdisciplinary research field that develops tools for the analysis of large ...
High performance computing refers to the practice of aggregating computing power in a way that deliv...
The integration of the latest breakthroughs in computational modeling and high performance computing...
The ever-increasing amount of computational power available has made it possible to use docking prog...
The paper describes experiences from building and cloudification of the in-silico research platform ...
Virtual screening is one of the early stages that aims to select a set of promising ligands from a ...
In my dissertation, we evaluate the current landscape of computation, using as a case study a high-i...
Virtual Screening (VS) methods can considerably aid drug discovery research, predicting how ligands ...
Bioinformatics is an interdisciplinary research field that develops tools for the analysis of large ...
Introduction: Computational chemistry dramatically accelerates the drug discovery process and high-p...
PCSV, article in press in Parallel ComputingLarge scale grids for in silico drug discovery open oppo...
High-performance computing (HPC) has become a state strategic technology in a number of countries. O...
Finding a novel drug is a very long and complex procedure. Using computer simulations, it is possibl...
Large-scale computing technologies have enabled high-throughput virtual screening involving thousand...
The work in this dissertation explores the use of massive computational power available through mode...
Bioinformatics is an interdisciplinary research field that develops tools for the analysis of large ...
High performance computing refers to the practice of aggregating computing power in a way that deliv...
The integration of the latest breakthroughs in computational modeling and high performance computing...
The ever-increasing amount of computational power available has made it possible to use docking prog...
The paper describes experiences from building and cloudification of the in-silico research platform ...
Virtual screening is one of the early stages that aims to select a set of promising ligands from a ...