: We present the initial architecture and implementation of VLab, a Grid and Web Service-based system for enabling distributed and collaborative computational chemistry and materia...
Mehmet A. Nacar, Mehmet S. Aktas, Marlon E. Pierce...
Abstract: Molecular dynamics simulations of the RN24 peptide, which includes a diverse set of structurally heterogeneous states, are carried out in explicit solvent. Two approaches...
Luca Monticelli, Eric J. Sorin, D. Peter Tieleman,...
The use of computational models is increasingly expected to play an important role in predicting the behaviour of biological systems. Models are being sought at different scales o...
Rainfall-Runoff and Signal Separation Problems: The process of converting rainfall into runoff is a highly nonlinear problem due to the soil-water interaction that starts when r...
Abstract. This work proposes a family of language-independent semantic kernel functions defined for individuals in an ontology. This allows exploiting wellfounded kernel methods fo...