Time-resolved Studies of Molecular Dynamics Using Nano- and Femto-second Laser Pulses

Source URL: mazur.harvard.edu

LA-URAllostery in a Coarse-Grained Model of Protein Dynamics Dengming Ming Computer and Computational Sciences Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA

Source URL: public.lanl.gov

• Chemistry
• Molecular modelling
• Force field
• CHARMM
• Trypsinogen
• Turn
• Trypsin

Molecular structure and dynamics of liquid water Simulations complementing experiments Daniel Schlesinger

Source URL: su.diva-portal.org

Journal of Nuclear Materials 329––1160 www.elsevier.com/locate/jnucmat Molecular dynamics simulation of displacement cascades in Fe–Cr alloys L. Malerba

Source URL: neutron.kth.se

Exploring SIMD for Molecular Dynamics, TM R R Using Intel Xeon Processors and Intel

Source URL: pcl.intel-research.net

doi:j.jcp

Source URL: www.ppm-library.org

• Computational science
• Computational fluid dynamics
• Chemistry
• Computational physics
• Physics
• Computational chemistry
• Molecular dynamics
• Scientific modeling
• Particle-in-cell
• N-body simulation
• Smoothed-particle hydrodynamics
• Dissipative particle dynamics

J. Mol. Biol, 716–725 Using a Hydrophobic Contact Potential to Evaluate Native and Near-native Folds Generated by Molecular Dynamics Simulations Enoch S. Huang*, S. Subbiah, Jerry Tsai and Michael Levitt

Source URL: people.bu.edu

NONLINEAR DYNAMICS OF A DAVYDOV’S MODEL WITH TWO INDEPENDENT EXCITONIC MODES IN COMPLEX ONE-DIMENSIONAL MOLECULAR SYSTEMS A. T. GRECU, D. GRECU, ANCA VIS¸INESCU Department of Theoretical Physics, National Institute of

Source URL: www.nipne.ro

SISPAD 2012, September 5-7, 2012, Denver, CO, USA Tight-binding molecular dynamics study of mechanical and electronic properties in twisted graphene nanoribbons Satofumi Souma† , Shozo Kaino, and Matsuto Ogawa

Source URL: in4.iue.tuwien.ac.at

LNCSConstrained Molecular Dynamics as a Search and Optimization Tool

Source URL: xps-swarm.essex.ac.uk