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BIOINFORMATICS
2007
53views more  BIOINFORMATICS 2007»
13 years 4 months ago
Wordom: a program for efficient analysis of molecular dynamics simulations
Michele Seeber, Marco Cecchini, Francesco Rao, Gio...
JCC
2011
105views more  JCC 2011»
12 years 11 months ago
Wordom: A user-friendly program for the analysis of molecular structures, trajectories, and free energy surfaces
Abstract: Wordom is a versatile, user-friendly, and efficient program for manipulation and analysis of molecular structures and dynamics. The following new analysis modules have b...
Michele Seeber, Angelo Felline, Francesco Raimondi...
IPPS
1999
IEEE
13 years 8 months ago
Large Scale Simulation of Parallel Molecular Dynamics
This paper aims to describe the implementation of TAKAKAW, an efficient parallel application for the simulation of molecular dynamics designed to handle large proteins in biology....
Pierre-Eric Bernard, Thierry Gautier, Denis Trystr...
RECOMB
2009
Springer
14 years 4 months ago
An Online Approach for Mining Collective Behaviors from Molecular Dynamics Simulations
Collective behavior involving distally separate regions in a protein is known to widely affect its function. In this paper, we present an online approach to study and characterize ...
Arvind Ramanathan, Pratul K. Agarwal, Maria Kurnik...
VIS
2007
IEEE
169views Visualization» more  VIS 2007»
14 years 5 months ago
Visual Verification and Analysis of Cluster Detection for Molecular Dynamics
A current research topic in molecular thermodynamics is the condensation of vapor to liquid and the investigation of this process at the molecular level. Condensation is found in m...
Sebastian Grottel, Guido Reina, Jadran Vrabec, ...