Dana Vanderwall on Cheminformatics at Drexel

submitted by: jcbradley
Dana Vanderwall, Associate Director of Cheminformatics at Bristol-Myers Squibb, presented at Drexel University for Jean-Claude Bradley's Chemical Information Retrieval class on December 2, 2010. The first part covers "Cheminformatics & The evolving relationship between data in the public domain & pharma" and includes a general discussion of modern drug discovery and the details of a malaria dataset recently released from the pharmaceutical industry to the public. The second part...

Can Quantum Mechanics Play a Role in DNA Damage Detection?, Fröhlich Condensation and Quantum Consciousness

submitted by: icamvid

Daniel Cox presents theory and experiment showing a possible explanation for DNA damage detection through quantum behavior of electrons.

Jeffrey Reimers explores the most important question in fundamental science for this century: What is the origin of intelligence and consciousness? He presents quantum mechanical explanations for the origin of intelligence.

Presented at the Exploratory Workshop on Nontrivial Quantum Effects, Anacapri, Italy, October 2010

Optimization of Energy Transfer Processes, Exiton Delocalization and Energy Trapping Probability in Light-Harvesting Complexes, Defining Structural Properties and Boltzmann Populations of the Solution States of Proteins by Experiments and simulations

submitted by: icamvid

Jianshu Cao presents on optimimal efficiency of LH systems, mechanisms of optimal ETE, and mapping to kinetic networks.

Francesca Fassioli presents on exiton delocalization in photosynthesis.

Alfonso De Simone presents on experiments and simulations to determine protein solution sates.

Presented at the Exploratory Workshop on Nontrivial Quantum Effects, Anacapri, Italy, October 2010

"The Bath Matters": Quantum Dynamics and Environments

submitted by: icamvid

Martin Plenlo presents on advances in quantum dynamics and simulations.

Presented at the Exploratory Workshop on Nontrivial Quantum Effects, Anacapri, Italy, October 2010

Simulation studies of spherical nanoparticles in mesogenic media

submitted by: icamvid
Matt Glaser, University of Colorado at Boulder Abstract: We describe results from simulations of spherical nanoparticles in a nematogenic solvent consisting of soft spherocylinders. We find that nanoparticles remain well dispersed in the isotropic (low-density) phase of the solvent, but demix into a nanoparticle-poor nematic phase and a nanoparticle-rich isotropic phase at higher pressures. When the nanoparticle-spherocylinder interactions are modified to promote homeotropic anchoring, the...

Molecular dynamics simulation of liquid crystalline polymers: what can be achieved?

submitted by: icamvid
Jaroslav Ilnytskyi, Institute for Condensed Matter Physics Abstract: Polymeric liquid crystals combine the features of both the polymer and liquid crystal. Their fine-tuning is possible on the stage of synthesis which leads to a number of practical applications (high strength plastics, displays, optical data storage). We present some recent results in molecular dynamics simulations of such systems. Liquid crystalline dendrimer is studied in isotropic, nematic and smectic A solvent and we...

Transfected Lysate (Native)

submitted by: abnova

Abnova - Transfected lysate is useful as a positive control in Western Blot. The full-length protein construct is expressed in HEK293T cells and prepared as ready-to-use, native lysate in modified RIPA Buffer. For more videos, visit Abnova!

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... .