A Study of Archiving Strategies in Multi-Objective PSO for Molecular Docking

Molecular docking is a complex optimization problem aimed at predicting the position of a ligand molecule in the active site of a receptor with the lowest binding energy. This problem can be formulated as a bi-objective optimization problem by minimizing the binding energy and the Root Mean Square Deviation (RMSD) difference in the coordinates of ligands. In this context, the SMPSO multi-objective swarm-intelligence algorithm has shown a remarkable performance. SMPSO is characterized by having an external archive used to store the non-dominated solutions and also as the basis of the leader selection strategy. In this paper, we analyze several SMPSO variants based on different archiving strategies in the scope of a benchmark of molecular docking instances. Our study reveals that the SMPSOhv, which uses an hypervolume contribution based archive, shows the overall best performance.Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech

Calidad de la espirometría en un laboratorio de función pulmonar

Introduction: Spirometry is a principal test to study the pulmonar pathology and phisiology. Our aim is to test our spi- rometry quality. Material and methods: Cross-sectional descriptive study of 103 patients. Spirometries were classified on grades from A to F. Results: 66% of our spirometries have a good quality (A or B grades) and 76,7 % an aceptable quality (C grade). Conclusion: Our quality results are good, but we must improve them

The impact of point mutations in the human androgen receptor : classification of mutations on the basis of transcriptional activity

Peer reviewedPublisher PD