Search results for "computational method"
showing 10 items of 30 documents
The Making of the New European Wind Atlas - Part 2: production and evaluation
2020
This is the second of two papers that document the creation of the New European Wind Atlas (NEWA). In Part 1, we described the sensitivity experiments and accompanying evaluation done to arrive at the final mesoscale model setup used to produce the mesoscale wind atlas. In this paper, Part 2, we document how we made the final wind atlas product, covering both the production of the mesoscale climatology generated with the Weather Research and Forecasting (WRF) model and the microscale climatology generated with the Wind Atlas Analysis and Applications Program (WAsP). The paper includes a detailed description of the technical and practical aspects that went into running the mesoscale simulati…
Drugs Polypharmacology by in Silico Methods: New Opportunities in Drug Discovery
2016
Background Polypharmacology, defined as the modulation of multiple proteins rather than a single target to achieve a desired therapeutic effect, has been gaining increasing attention since 1990s, when industries had to withdraw several drugs due to their adverse effects, leading to permanent injuries or death, with multi-billiondollar legal damages. Therefore, if up to then the "one drug one target" paradigm had seen many researchers interest focused on the identification of selective drugs, with the strong expectation to avoid adverse drug reactions (ADRs), very recently new research strategies resulted more appealing even as attempts to overcome the decline in productivity of the drug dis…
MicroRNA Interaction Networks
2021
La tesi di Giorgio Bertolazzi è incentrata sullo sviluppo di nuovi algoritmi per la predizione dei legami miRNA-mRNA. In particolare, un algoritmo di machine-learning viene proposto per l'upgrade del web tool ComiR; la versione originale di ComiR considerava soltanto i siti di legame dei miRNA collocati nella regione 3'UTR dell'RNA messaggero. La nuova versione di ComiR include nella ricerca dei legami la regione codificante dell'RNA messaggero. Bertolazzi’s thesis focuses on developing and applying computational methods to predict microRNA binding sites located on messenger RNA molecules. MicroRNAs (miRNAs) regulate gene expression by binding target messenger RNA molecules (mRNAs). Therefo…
Evaluation of legendre functions of argument greater than one
2019
Abstract In this paper we present an algorithm to evaluate Legendre functions of the first and second kinds (P_v ,Q_v ) for integral and half-integral order and argument greater than one. The code is based on the calculation of the continued fraction for the Q's, the Wronskian relating P's and Q's and the application of forward recurrence relations for the P's and backward recurrence for the Q's. We also show an application of these algorithms to the evaluation of the electrostatic field due to a char... Title of program: DLEGENI, DLEGENS Catalogue Id: ADGO_v1_0 Nature of problem We include two codes in order to evaluate: 1) Legendre functions of half-integral order (subroutine DLEGENS) 2) …
Resolution of singularities for multi-loop integrals
2019
Abstract We report on a program for the numerical evaluation of divergent multi-loop integrals. The program is based on iterated sector decomposition. We improve the original algorithm of Binoth and Heinrich such that the program is guaranteed to terminate. The program can be used to compute numerically the Laurent expansion of divergent multi-loop integrals regulated by dimensional regularisation. The symbolic and the numerical steps of the algorithm are combined into one program. Title of program: sector_decomposition Catalogue Id: AEAG_v1_0 Nature of problem Computation of divergent multi-loop integrals. Versions of this program held in the CPC repository in Mendeley Data AEAG_v1_0; sect…
A code to calculate (high order) Bessel functions based on the continued fractions method
2019
Abstract We have developed a fast code to calculate Bessel functions of integer and fractional order based on the continued fractions method. This algorithm is specially useful in the case of Bessel functions of high order because it does not require any recalculation using normalization relations. Title of program: BESSEL, SPHERICAL Catalogue Id: ACNL_v1_0 Nature of problem We include two codes in order to evaluate: a) Bessel functions of fractional order (Subroutine SPHERICAL) b) Bessel functions of integer order (Subroutine BESSEL) Versions of this program held in the CPC repository in Mendeley Data ACNL_v1_0; BESSEL, SPHERICAL; 10.1016/0010-4655(93)90062-H This program has been imported…
JASP: a program to estimate discovery and exclusion limits in prospective studies of searches
2019
Abstract This program computes the discovery and exclusion limits that can be set in prospective studies of new experiments in the search for new phenomena. It properly takes into account the different outcomes that the experiment can obtain including the possible signal and background fluctuations. The procedure gives in general more conservative limits than those obtained assuming that the experiment will obtain a number of events equal to the expected mean. The difference may be essential in those ... Title of program: JASP Catalogue Id: ADES_v1_0 Nature of problem Estimation of discovery and exclusion limits in prospective studies using Poisson statistics and properly including the expe…
A code to evaluate prolate and oblate spheroidal harmonics
2019
Abstract We present a code to evaluate prolate (P^m _n (x), Q^m _n(x); n ≥ m, x > 1) and oblate (P^m _n (ix), Q^m _n(ix); n ≥ m, x > 0) spheroidal harmonics, that is, spherical harmonics (n and m integers) for real arguments larger than one and for purely imaginary arguments. We start from the known values (in closed form) of P^m _(m+1)and P^m ... Title of program: DPROH, DOBLH Catalogue Id: ADHD_v1_0 Nature of problem We include two codes in order to evaluate: Prolate spheroidal harmonics (subroutine DPROH) Oblate spheroidal harmonics (subroutine DOBLH) The two codes evaluate spheroidal harmonics of the first and second kinds for a given order m, from the lowest (positive) degree (n = m) t…
An exponential spline interpolation for unequally spaced data points
2019
Title of program: LSPLIN Catalogue Id: AAOW_v1_0 Nature of problem Quite often it is necessary to interpolate discrete points given in an interval (x1,xn) to some intermediate point x*epsilon(x1,xn) in such a way that one avoids spurious oscillations. Versions of this program held in the CPC repository in Mendeley Data AAOW_v1_0; LSPLIN; 10.1016/0010-4655(82)90062-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
Parallelization of adaptive MC integrators
2019
Abstract Monte Carlo (MC) methods for numerical integration seem to be embarrassingly parallel on first sight. When adaptive schemes are applied in order to enhance convergence however, the seemingly most natural way of replicating the whole job on each processor can potentially ruin the adaptive behaviour. Using the popular VEGAS-Algorithm as an example an economic method of semi-micro parallelization with variable grain-size is presented and contrasted with another straightforward approach of macro-... Title of program: pvegas.c Catalogue Id: ADGU_v1_0 Nature of problem Monte Carlo (MC) methods for numerical integration seem to be embarassingly parallel on first sight. When adaptive schem…