Turbomole Program Package for ab initio Electronic Structure Calculations USER’S MANUAL

Source URL: www.turbomole-gmbh.com

First Principles Ab Initio Multiple Spawning Dynamics of Electronically Excited trans-1,3-Butadiene with Wavefunction and Density Functional Theory

Source URL: www.ccp6.ac.uk

ON ab initio THEORY OF NUCLEAR PAIRING . E.E. Saperstein, Kurchatov Institute, 123182, Moscow, Russia

Source URL: migdal100.itp.ac.ru

Member of the Helmholtz Association Hydrogen isotope retention and release in beryllium: The full picture from experiment and ab initio calculations

Source URL: www-amdis.iaea.org

OpenAtom: Scalable Ab-Initio Molecular Dynamics with Diverse Capability Nikhil Jain† , Eric Bohm† , Eric Mikida† , Subhasish Mandal§ , Minjung Kim§ , Prateek Jindal† , Qi Li? , Sohrab Ismail-Beigi§ , Glenn J.

Source URL: charm.cs.illinois.edu

• Digital signal processing
• Mathematical analysis
• Parallel computing
• Mathematics
• Fast Fourier transform
• OpenAtom
• Charm++
• Integral
• Coordinate system
• Computer programming

A COMBINED APPROACH FOR AB INITIO CONSTRUCTION OF LOW RESOLUTION PROTEIN TERTIARY STRUCTURES FROM SEQUENCE RAM SAMUDRALA a, YU XIA, MICHAEL LEVITT Department of Structural Biology, Stanford University School of Medicine

Source URL: people.bu.edu

Ab Initio Identification of Novel Regulatory Elements in the Genome of Trypanosoma brucei by Bayesian Inference on Sequence Segmentation Steven Kelly1,2,3*, Bill Wickstead4,5, Philip K. Maini2,3, Keith Gull3,4 1 Departme

Source URL: www.stevekelly.eu

doi:jmbiavailable online at http://www.idealibrary.com on J. Mol. Biol, 171±185 Ab Initio Construction of Protein Tertiary Structures Using a Hierarchical Approach

Source URL: people.bu.edu

77 Genome Informatics 17(2): 77{Development of an Approach for Ab Initio Estimation of Compound-Induced Liver Injury Based on Global Gene

Source URL: www.jsbi.org

PROTEINS: Structure, Function, and Genetics Suppl 3:194–Ab Initio Protein Structure Prediction Using a Combined Hierarchical Approach Ram Samudrala,1* Yu Xia,1 Enoch Huang,2 and Michael Levitt1 of Structura

Source URL: people.bu.edu