MolVa: Workshop on Molecular Graphics and Visual Analysis of Molecular Data 2019
Porto, Portugal 3 June 2019
A Massively Parallel CUDA Algorithm to Compute and Visualize the Solvent Excluded Surface for Dynamic Molecular Data
QuickSES: A Library for Fast Computation of Solvent Excluded Surfaces
MolFind - Integrated Multi-Selection Schemes for Complex Molecular Structures
PBmapclust: Mapping and Clustering the Protein Conformational Space Using a Structural Alphabet
(The Eurographics Association, 2019)Analyzing the data from molecular dynamics simulation of biological macromolecules like proteins is challenging. We propose a simple tool called PBmapclust that is based on a well established structural alphabet called ...
(The Eurographics Association, 2019)Selecting components and observing changes of properties and configurations over time is an important step in the analysis of molecular dynamics (MD) data. In this paper, we present a selection tool combining text-based ...
(The Eurographics Association, 2019)Recently, several fast methods to compute Solvent Excluded Surfaces (SES) on GPUs have been presented. While these published methods reportedly yield interesting and useful results, up to now no public, freely accessible ...
A Massively Parallel CUDA Algorithm to Compute and Visualize the Solvent Excluded Surface for Dynamic Molecular Data (The Eurographics Association, 2019)The interactive visualization of molecular surfaces can help users to understand the dynamic behavior of proteins in molecular dynamics simulations. These simulations play an important role in biochemical and pharmaceutical ...
(The Eurographics Association, 2019)