GROMACS: Erik Lindahl. GROMACS provides extremely high performance compared to all other programs. ... Own software routines to calculate the inverse square root. ...
... (2), Julia Nieh rster(3), Jens Kr ger(2), Brigitta Els sser(2), Lars Packschies(4) (1) Paderborn Center for Parallel Computing, Universit t Paderborn, Germany ...
Rates of Peptide Folding AP A5(A3RA)3A Ref: Lednev I. K. et al. J. Am. Chem. Soc. 1999, 121, 8074-8086. A 21 amino acid, mainly alanine, -helical peptide (AP).
Proprietary or Commodity? Interconnect Performance in Large-scale Supercomputers Author: Olli-Pekka Lehto Supervisor: Prof. Jorma Virtamo Instructor: D.Sc. (Tech ...
add in some terms to make this happen. Solve and write for efficient summation ... A Numerical Example. The total electrostatic potential is pairwise-additive ...
Temperature and pressure coupling MD workshops 26-10-2004 Why control the temperature and pressure? isothermal and isobaric simulations (NPT) are most relevant to ...
Development of Integrated Environment for Computational Chemistry and ... More than 1000 downloads since mid-April from 50 countries. JMolEditor on the Web ...
Title: Molecular Dynamics of AChBP: Water in the Binding Pocket Author: shiva Last modified by: shiva Created Date: 1/9/2006 5:27:33 PM Document presentation format
Title (Simple) Physical Models of Protein Folding Last modified by: Corey O'Hern Document presentation format: On-screen Show Other titles: Gill Sans ...
Non-catalytic signaling proteins (protein-protein recognition) ... (Univ. of Calgary) - E. Paci and M. Vendruscolo. European TMR - 'Protein (mis)folding' ...
UNIVERSIDAD NACIONAL DE LA PAMPA Facultad de Ciencias Exactas y Naturales q-exponential distribution in time correlation function of water hydrogen bonds
Ohio Bioinformatics Consortium Research Infrastructure Ashok Krishnamurthy Ohio Supercomputer Center Michael Raymer Wright State University Zhong Hui Duan University ...
Configurations possibles du site actif de l'endothiapepsine naturelle ... mod le ONIOM (2 niveaux) Site actif: chimie quantique et Autres: m canique ...
Markov Modeling II Prof. Corey O Hern Department of Mechanical Engineering Department of Physics Yale University * Bioinformatics: Practical Application of ...
Assessing the Nature of Lipid Raft Membranes. Perttu Niemel . Laboratory of Physics and Helsinki Institute of Physics, Helsinki University of Technology ...
Title: IIT CS570 Graduate Advenced Computer Architecture Author: David Last modified by: sun Created Date: 2/8/2005 3:17:21 AM Document presentation format
The Role of Long-Range Forces in Porin Channel Conduction. S. Aboud ... Worcester Polytechnic Institute, Worcester MA 01760. D. Marreiro, M. Saraniti ...
single molecule spectroscopy of protein unfolding: biological relevance; pulling ... Bensimon, V. Croquette, ibid, 13, 266 (2003); S. Weiss, Science, 283, 1676 (1999) ...
First year goal was met: demonstrated feasibility on single node. Feedback from ... They listened politely, but little traction. Need more convincing evidence ...
Changes in resonance structures / pi system are quantum-mechanical! ... Indicates cosmo/chao/ -tropic properties of ion. Mean residence time of solvation water ...
Title: Slajd 1 Author: Jozef Adam Liwo Last modified by: Jozef Adam Liwo Created Date: 11/6/2006 3:33:15 PM Document presentation format: Pokaz na ekranie
Help contacting the certification authority that signs a valid certificate (EUGRIDPMA) ... Runs the Virtual Organization Management Services (VOMS) ...
Have amino acid sequences that combined with the dynamics of their motion in ... E. Torda, T. Huber, P. Kruger, W. F. van Gunsteren, The GROMOS Biomolecular ...
PL-Grid Status and Plans The first functioning National Grid Initiative in Europe www.plgrid.pl/en Marian Bubak, ukasz Dutka, Jacek Kitowski, Zofia Mosurska ...
Department of Biochemistry, University of Cambridge, Cambridge, CB2 1GA ... Voronoi tessellation has proved to be a useful tool in protein structure analysis. ...
Title: Introduction to Parallelism Author: Project Assistant Last modified by: Morris Law Created Date: 7/27/2006 7:13:04 AM Document presentation format
Kickstart Tutorial/Seminar on using the 64-nodes P4-Xeon Cluster in Science Faculty ... a kickstart tutorial to potential cluster users in Science Faculty, HKBU ...
SPEC 2006 CSE 820 Q1. What is SPEC? SPEC is the Standard Performance Evaluation Corporation. SPEC is a non-profit organization whose members include computer hardware ...
Why Does Mississippi Need Supercomputers? What Kinds of Research? What Kinds of Instruction? ... Threads coordinate/communicate results via shared memory variables ...