Bristol Centre for Complexity Sciences Exploring methods for analysing trajectories of long-scale Molecular Dynamics simulations on the example of the 150-loop in Neuraminidase September 2013

Source URL: bioinformatics.bris.ac.uk

Shells, Clusters, and Halos within Fermionic Molecular Dynamics Hans Feldmeier, Thomas Neff GSI Darmstadt Robert Roth TU Darmstadt

Source URL: theory.gsi.de

Early Stages in the Nucleation Process of Carbon Nanotubes: Density-Functional Tight-Binding Molecular Dynamics Simulations of Acetylene Oligomerization and Cross-Linking on an Fe38 Particle Ying Wang,1 Yasuhito Ohta,2 H

Source URL: grrm.chem.tohoku.ac.jp

1 12:00 Stochastic walking along a network of molecular highways, Andrea Parmeggiani, Montpellier 12:30 The role of limited resources in protein synthesis, Carmen Romano, Aberdeen

Source URL: www.dynamics-days-2011.uni-oldenburg.de

Structure of Light Exotic Nuclei within Fermionic Molecular Dynamics Hans Feldmeier, Thomas Neff, Robert Roth GSI Darmstadt - TU Darmstadt 14

Source URL: theory.gsi.de

April 2013 Issue No.3 NEWSLETTER OF RIKEN Quantitative Biology Center QBiTs Inside this issue

Source URL: www.qbic.riken.jp

• Computational chemistry
• Molecular dynamics
• Molecular modelling

Persistent Homology for Automatic Determination of Human-Data Based Cost of Bipedal Walking Ram Vasudevana , Aaron Amesb , Ruzena Bajcsya a Electrical Engineering and Computer Sciences

Source URL: ames.tamu.edu

• Molecular dynamics
• Dynamical systems
• Lagrangian mechanics
• Holonomic
• Kinematics
• Action
• Walking
• Lagrangian
• Rotation matrix
• Physics
• Mathematics
• Classical mechanics

Development of Multiscale Models for Complex Chemical Systems: From H+H2 to Biomolecules (Nobel Lecture)

Source URL: chemie.univie.ac.at

• Force fields
• Proteins
• Theoretical chemistry
• Martin Karplus
• Molecular dynamics
• Aprotinin
• Arieh Warshel
• Kinesin
• AMBER
• Chemistry
• Molecular modelling
• Computational chemistry

High Performance Computing II Lecture 3 Topic 2: Molecular Dynamics of Lennard-Jones System Molecular Dynamics (MD) is widely used to simulate many particle systems ranging

Source URL: www.physics.buffalo.edu

• Science
• Computational chemistry
• Molecular dynamics
• Verlet integration
• Equipartition theorem
• Dynamical system
• Lennard-Jones potential
• Thermodynamic temperature
• Thermodynamic system
• Chemistry
• Thermodynamics
• Physics

cv_vega_april_2014_english_2.dvi

Source URL: catalan.quim.ucm.es

• Computational chemistry
• Chemical engineering
• Thermodynamics
• Equilibrium chemistry
• Gases
• Equation of state
• Molecular dynamics
• Vapor–liquid equilibrium
• Entropy
• Chemistry
• Physics
• Matter