Insights into mechanism kinematics for protein motion simulation

Background: The high demanding computational requirements necessary to carry out protein motion simulations make it difficult to obtain information related to protein motion. On the one hand, molecular dynamics simulation requires huge computational resources to achieve satisfactory motion simulations. On the other hand, less accurate procedures such as interpolation methods, do not generate realistic morphs from the kinematic point of view. Analyzing a protein's movement is very similar to serial robots; thus, it is possible to treat the protein chain as a serial mechanism composed of rotational degrees of freedom. Recently, based on this hypothesis, new methodologies have arisen, based on mechanism and robot kinematics, to simulate protein motion. Probabilistic roadmap method, which discretizes the protein configurational space against a scoring function, or the kinetostatic compliance method that minimizes the torques that appear in bonds, aim to simulate protein motion with a reduced computational cost. Results: In this paper a new viewpoint for protein motion simulation, based on mechanism kinematics is presented. The paper describes a set of methodologies, combining different techniques such as structure normalization normalization processes, simulation algorithms and secondary structure detection procedures. The combination of all these procedures allows to obtain kinematic morphs of proteins achieving a very good computational cost-error rate, while maintaining the biological meaning of the obtained structures and the kinematic viability of the obtained motion. Conclusions: The procedure presented in this paper, implements different modules to perform the simulation of the conformational change suffered by a protein when exerting its function. The combination of a main simulation procedure assisted by a secondary structure process, and a side chain orientation strategy, allows to obtain a fast and reliable simulations of protein motion.

Career Planning in Spain: Do temporary contracts delay marriage and motherhood?

The aim of this paper is to find an empirical connection between the impressive increase in the use of temporary contracts in Spain and the observed increase in age at marriage and maternity. Using a pool of the six available waves of individual information from the European Household Panel for Spain, we find that holding temporary contracts rather than permanent ones delays marriage for males, but not for females. Concerning maternity, the labor market situation of both members of the household affects entry into motherhood. In particular, if woman has a temporary contract rather than a permanent one, motherhoods is delayed independently of the husband's contract. As expected, postponement of maternity is not found for non-working women. These results give strong support to the career planning, motive to delay maternity in Spain, given that an unstable labor market situation of female workers is found to be the main deterrent to entry into motherhood.

Towards a participatory integrated assessment approach for planning and managing Natura 2000 network sites

Managing protected areas implies dealing with complex social-ecological systems where multiple dimensions (social, institutional, economic and ecological) interact over time for the delivery of ecosystem services. Uni-dimensional and top-down management approaches have been unable to capture this complexity. Instead, new integrated approaches that acknowledge the diversity of social actors in the decision making process are required. In this paper we put forward a novel participatory assessment approach which integrates multiple methodologies to reflect different value articulating institutions in the case of a Natura 2000 network site in the Basque Country. It integrates within a social multi-criteria evaluation framework, both the economic values of ecosystem services through a choice experiment model and ecological values by means of a spatial bio-geographic assessment. By capturing confronting social and institutional conflicts in protected areas the participatory integrated assessment approach presented here can help decision makers for better planning and managing Natura 2000 sites.

Towards a Participatory Integrated Assessment Approach for Planning and Managing Natura 2000 Network Sites

36 p.

SCARA errobota: mugimendu gaitasunen eta ibilbide sorkuntzaren inplementazioa software grafikoan

[EU]Lan honen gaia SCARA errobot motaren mugimendu gaitasunen analisia egitea da, eta ibilbideen sorkuntzarako metodoekin batera software grafiko batean inplementatzea mugimenduaren simulazioa egin ahal izateko. Errobot serieen zinematikaren oinarrizko ezagutzatik hasita, mota konkretu batetara aplikatu egiten da eta honek aurkezten dituen berezitasunak garatu egiten dira, bi helburutara bideratuta: SCARA errobotaren mugimendu gaitasunak ezagutzea. Ibilbideen sorkuntzarako metodo baten inplementazioa. Hasteko, gaiaren egoera aztertu da, aplikazio nagusien eta ibilbide moten informazioa batzeko. Halaber ibilbideen sorkuntzarako metodoak arakatu dira, erabilera honetarako aproposena aurkitzeko. Jarraian, errobotaren analisia burutu da, ohizko erreminta matematikoak erabiliz, funtsezkoak diren lan eremua eta kokapen singularrak lortzeko. Ostean, software grafikoa garatu da mugimendu gaitasun hauek simulatzeko. Ohiko aplikazioetan oinarritutako ibilbideak sortzeko aukerak gehitu dira. Amaitzeko, oztopoak saihesten dituen ibilbideen sorkuntzarako metodoa inplementatu da, “pick and place” ibilbide motaren barruan.

4th European Conference on Energy Efficiency and Sustainability in Architecture and Planning : Donostia-San Sebastián, 1-3 Julio 2013

XXXII Cursos de Verano de la UPV/EHU

5th European Conference on Energy Efficiency and Sustainability in Architecture and Planning : Donostia-San Sebastián, 7-9 Julio 2014

XXXIII Cursos de Verano de la UPV/EHU