Molecular Representation, Similarity and Search

submitted by: jcbradley
Rajarshi Guha presents at the final fall 09 Chemical Information Retrieval class at Drexel University on December 3, 2009. The audio for the first 45 seconds is a little off but the rest is fine. Implicit and explicit molecular representations in 1D, 2D and 3D formats are introduced. Approaches to quantifying molecular similarity using fingerprinting are discussed, such as the Tanimoto index. The relevance of these methods to drug design in terms of virtual screening and QSAR is explored....

Real-time Ray Tracing of Complex Molecular Scenes with BALLView and RTfact

submitted by: akdehof

This is two posters given together relating to molecular visualization.

Bookcast - Structural Bioinformatics 2nd Edition Gu & Bourne (Eds.)

submitted by: Phil
Further details of the book can be found at http://eu.wiley.com/WileyCDA/WileyTitle/productCd-0470181052.html and on Google Books http://books.google.com/books?id=4H_ai7ivRIcC&pg=PP1&dq=structural+bioin... .

Bioinformatic analyses of mammalian 5'-UTR sequence properties of mRNAs predicts alternative translation initiation sites

linked profile(s): jwegrzyn
submitted by: apryl
Background Utilization of alternative initiation sites for protein translation directed by non-AUG codons in mammalian mRNAs is observed with increasing frequency. Alternative initiation sites are utilized for the synthesis of important regulatory proteins that control distinct biological functions. It is, therefore, of high significance to define the parameters that allow accurate bioinformatic prediction of alternative translation initiation sites (aTIS). This...
Authors: Jill l Wegrzyn, Thomas m Drudge, Faramarz Valafar, Vivian Hook

large bending of a beam

submitted by: tingvfife

Calculated by VFIFE(V-5), vector form intrinsic finite element. V-5 is developed by Center for Bridge Engineering Research, National Central University, Taiwan. The element is a 3D frame element.

computer simulation of the demolition of a structure

submitted by: tingvfife

This is created by VFIFE (V-5), a new finite element technique capable of calculation motion and stresses of a structural system. It is developed by Center for Bridge Engineering Research, National Central University, Taiwan

computer simulation of structural collapse

submitted by: tingvfife

This is created by VFIFE (V-5, vector form intrinsic finite element) developed recently at National Central University, Taiwan. V-5 is capable of calculating position changes and body deformation simultaneously. It is based on the mechanics concept of Motion Analysis.

Multipolar representation of protein structure

linked profile(s): Phil
submitted by: jmath
Background That the structure determines the function of proteins is a central paradigm in biology. However, protein functions are more directly related to cooperative effects at the residue and multi-residue scales. As such, current representations based on atomic coordinates can be considered inadequate. Bridging the gap between atomic-level structure and overall protein-level functionality requires parameterizations of the protein structure (and other...
Authors: Apostol Gramada, Philip e Bourne