MolBridge: a program for identifying nonbonded interactions in small molecules and biomolecular structures

Identification and analysis of nonbonded interactions within a molecule and with the surrounding molecules are an essential part of structural studies, given the importance of these interactions in defining the structure and function of any supramolecular entity. MolBridge is an easy to use algorithm based purely on geometric criteria that can identify all possible nonbonded interactions, such as hydrogen bond, halogen bond, cation-pi, pi-pi and van der Waals, in small molecules as well as biomolecules. The user can either upload three-dimensional coordinate files or enter the molecular ID corresponding to the relevant database. The program is available in a standalone form and as an interactive web server with Jmol and JME incorporated into it. The program is freely downloadable and the web server version is also available at http://nucleix.mbu.iisc.ernet.in/molbridge/index.php.

SUB1 Plays a Negative Role during Starvation Induced Sporulation Program in Saccharomyces cerevisiae

Saccharomyces cerevisiae Sub1 is involved in several cellular processes such as, transcription initiation, elongation, mRNA processing and DNA repair. It has also been reported to provide cellular resistance during conditions of oxidative DNA damage and osmotic stress. Here, we report a novel role of SUB1 during starvation stress-induced sporulation, which leads to meiosis and spore formation in diploid yeast cells. Deletion of SUB1 gene significantly increased sporulation efficiency as compared to the wild-type cells in S288c genetic background. Whereas, the sporulation functions of the sub1(Y66A) missense mutant were similar to Sub1. SUB1 transcript and protein levels are downregulated during sporulation, in highly synchronized and sporulation proficient wild-type SK1 cells. The changes in Sub1 levels during sporulation cascade correlate with the induction of middle sporulation gene expression. Deletion of SUB1 increased middle sporulation gene transcript levels with no effect on their induction kinetics. In wild-type cells, Sub1 associates with chromatin at these loci in a temporal pattern that correlates with their enhanced gene expression seen in sub1. cells. We show that SUB1 genetically interacts with HOS2, which led us to speculate that Sub1 might function with Set3 repressor complex during sporulation. Positive Cofactor 4, human homolog of Sub1, complemented the sub1. sporulation phenotype, suggesting conservation of function. Taken together, our results suggest that SUB1 acts as a negative regulator of sporulation.

The “Centre for Child Protection” of the Gregorian University/Rome. First experiences, results and reflections in setting up a global e-learning-program for the prevention of sexual abuse of minors

Resumen: El Centro para la Protección Infantil ha sido fundado en cooperación con el Instituto de Psicología de la Universidad Gregoriana (Roma, Italia), el Departamento para la Psiquiatría/Psicoterapia Infantil y Adolescente del Hospital de la Universidad de Ulm (Alemania) y la Arquidiócesis de Múnich (Alemania). Su tarea principal es la creación de un centro global de entrenamiento e-learning para profesiones de pastoral que respondan al abuso sexual de los menores, tomando en consideración asuntos multilingüísticos e interculturales. Dentro de tres años el Centro desarrollado e implementado un programa e-learning en cuatro lenguas. Ocho socios del proyecto internacional asumen un papel en el reclutamiento de participantes y en la evaluación en curso del programa. En esta fase, personas-test son incluidas en el desarrollo y la evaluación del programa, como parte de la formación (en curso) de sacerdotes y de otros coagentes de pastoral

On the Informational Role of Term Structure in the U.S. Monetary Policy Rule

This paper uses a structural approach based on the indirect inference principle to estimate a standard version of the new Keynesian monetary (NKM) model augmented with term structure using both revised and real-time data. The estimation results show that the term spread and policy inertia are both important determinants of the U.S. estimated monetary policy rule whereas the persistence of shocks plays a small but significant role when revised and real-time data of output and inflation are both considered. More importantly, the relative importance of term spread and persistent shocks in the policy rule and the shock transmission mechanism drastically change when it is taken into account that real-time data are not well behaved.

Unions, Monetary Shocks and the Labour Market Cycle

Published as an article in: Economic Modelling, 2011, vol. 28, issue 3, pages 1140-1149.

The New Keynesian Monetary Model: Does it Show the Comovement Between Output and Inflation in the U.S.?

Published as article in: Journal of Economic Dynamics and Control (2008), 32(May), pp. 1466-1488.

How Does the New Keynesian Monetary Model Fit in the U.S. and the Eurozone? an Indirect Inference Approach

This paper estimates a standard version of the New Keynesian monetary (NKM) model under alternative specifications of the monetary policy rule using U.S. and Eurozone data. The estimation procedure implemented is a classical method based on the indirect inference principle. An unrestricted VAR is considered as the auxiliary model. On the one hand, the estimation method proposed overcomes some of the shortcomings of using a structural VAR as the auxiliary model in order to identify the impulse response that defines the minimum distance estimator implemented in the literature. On the other hand, by following a classical approach we can further assess the estimation results found in recent papers that follow a maximum-likelihood Bayesian approach. The estimation results show that some structural parameter estimates are quite sensitive to the specification of monetary policy. Moreover, the estimation results in the U.S. show that the fit of the NKM under an optimal monetary plan is much worse than the fit of the NKM model assuming a forward-looking Taylor rule. In contrast to the U.S. case, in the Eurozone the best fit is obtained assuming a backward-looking Taylor rule, but the improvement is rather small with respect to assuming either a forward-looking Taylor rule or an optimal plan.

The Importance of Stock Market Returns in Estimated Monetary Policy Rules: a Structural Approach

This paper estimates a standard version of the New Keynesian Monetary (NKM) model augmented with financial variables in order to analyze the relative importance of stock market returns and term spread in the estimated U.S. monetary policy rule. The estimation procedure implemented is a classical structural method based on the indirect inference principle. The empirical results show that the Fed seems to respond to the macroeconomic outlook and to the stock market return but does not seem to respond to the term spread. Moreover, policy inertia and persistent policy shocks are also significant features of the estimated policy rule.

Term Structure and the Estimated Monetary Policy Rule in the Eurozone

Published as an article in: Spanish Economic Review, 2008, vol. 10, issue 4, pages 251-277.

The Comovement between Monetary and Fiscal Policy Instruments during the Post-War Period in the U.S.

This paper empirically studies the dynamic relationship between monetary and fiscal policies by analyzing the comovements between the Fed funds rate and the primary deficit/output ratio. Simple economic thinking establishes that a negative correlation between Fed rate and deficit arises whenever the two policy authorities share a common stabilization objective. However, when budget balancing concerns lead to a drastic deficit reduction the Fed may reduce the Fed rate in order to smooth the impact of fiscal policy, which results in a positive correlation between these two policy instruments. The empirical results show (i) a significant negative comovement between Fed rate and deficit and (ii) that deficit and output gap Granger-cause the Fed funds rate during the post-Volcker era, but the opposite is not true.

[R_Clavijo_SanPrudencio] Intensive Program ERASMUS: TOPCART. Geometric Documentation of the Heritage (report of activities 2010-2011)

[EN] Data contained in this record come from the following accademic activity (from which it is possible to locate additional records related with the Monastery):

PICES Press, Vol. 9, No. 1, January 2001

The state of PICES science – 2000 [pp. 1-2] [pdf, 0.6 Mb] The state of the western North Pacific in the first half of 2000 [pp. 3-5] [pdf, 0.7 Mb] The status of the Bering Sea: January – August 2000 [pp. 6-7] [pdf, 0.3 Mb] The state of the eastern North Pacific since spring 2000 [pp. 8-9] [pdf, 0.4 Mb] Makoto Kashiwai [pp. 10-14] [pdf, 0.9 Mb] Alkalinity measurement quality improves for PICES nations [pp. 15-16] [pdf, 0.4 Mb] Dr. Timothy R. Parsons Awarded 2001 Japan Prize [p. 17] [pdf, 0.2 Mb] Highlights of the PICES Nineth Annual Meeting [pp. 18-19] [pdf, 0.4 Mb] Tangible outline of the whole elephant (Results of ecosystem studies of biological resources in the far-eastern seas in 1990s) [pp. 20-24] [pdf, 0.7 Mb] The Oshoro Maru: A short history of Hokkaido University's workhorse in the North Pacific [pp. 25-28] [pdf, 0.4 Mb] Bering Sea and North Pacific Ocean Theme Page [pp. 29-30] [pdf, 0.3 Mb] PICES IX Japan/East Sea cruise [pp. 31-34] [pdf, 1.1 Mb] 35 PICES Wooster Award [p. 35] [pdf, 0.2 Mb] PICES Intern Program [p. 35] [pdf, 0.2 Mb] Obituary - Prof. Michael M. Mulin [p. 36] [pdf, 0.2 Mb]

PICES-GLOBEC International Program on Climate Change and Carrying Capacity

EXECUTIVE SUMMARY WORKSHOP OVERVIEW Introduction Goals and objectives of the workshop Organizing committee, participants, sponsors and venue Workshop activity NEMURO.FISH COUPLED WITH A POPULATION DYNAMICS MODEL (SAURY) Introduction One cohort case with no reproduction Two (overlapping) cohort scenario with no reproduction Two-cohort case with no reproduction and body size-dependent mortality Two-cohort case with reproduction and KL-dependent mortality Conclusions and future perspectives LAGRANGIAN MODEL OF NEMURO.FISH Tasks and members Description of model and preliminary results Future tasks COUPLING NEMURO TO HERRING BIOENERGETICS Overview Details of the NEMURO_Herring model Example simulation of NEMURO_Herring Future plans REFERENCES APPENDICES Workshop participants Workshop schedule Lagrangian model (FORTRAN program) (55 page document)

PICES-GLOBEC International Program on Climate Change and Carrying Capacity

Introduction [pdf, 0.27 MB] Methods [pdf, 0.15 MB] Results and discussion [pdf, 2.1 MB] Conclusions [pdf, 0.12 MB] Appendix A: Data gathering review, results and balancing [pdf, 0.3 MB] Appendix B: Data tables [pdf, 0.35 MB] Appendix C: BASS Workshop on the "Development of a conceptual model of the subarctic Pacific Basin ecosystems" [pdf, 0.16 MB] Appendix D: BASS/MODEL Workshop on "Higher trohic level modeling" [pdf, 0.24 MB] Appendix E: BASS/MODEL Workshop to review ecosystem models for the subarctic Pacific gyres [pdf, 4.39 MB] Appendix F: BASS/MODEL Workshop on "Perturbation analysis" on subarctic Pacific gyre ecosystem models using ECOPATH/ECOSIM" [pdf, 0.37 MB] Appendix G: Proposal for a BASS Workshop on "Linkages between open and coastal systems" [pdf, 0.15 MB] References [pdf, 0.14 MB] (97 page document)