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4.5 out of 5 stars
30 May 2006 | Tools | Contributor(s): Reza Toghraee, Umberto Ravaioli
Ion channel simulator
4.0 out of 5 stars
04 Feb 2008 | Tools | Contributor(s): David Papke, Reza Toghraee, Umberto Ravaioli, Ankit Raj
Simulates ion flow through a channel.
Computing the Horribleness of Soft Condensed Matter
5.0 out of 5 stars
19 Oct 2007 | Online Presentations | Contributor(s): Eric Jakobsson
A great triumph of computer simulations 40 years ago was to make the liquid state of matter understandable in terms of physical
interactions between individual molecules. Prior to the first...
Discussion about Ion Channels Using Reduced Model Approaches
21 Sep 2011 | Online Presentations | Contributor(s): James Fonseca
The seminar will cover the reasons how the channels are able to selectively permit the flow of certain species of ions while blocking other physiological cations.
From Research to Learning in Chemistry through Visualization and Computation
0.0 out of 5 stars
17 May 2007 | Online Presentations | Contributor(s): Eric Jakobsson
Modern chemistry research and high school chemistry education are separated by institutional and geographical boundaries. As such, much of secondary chemistry education is still based on the...
Hierarchy of Simulation Approaches for Charge Transport Simulation
01 Aug 2008 | Online Presentations | Contributor(s): Omar N Sobh, Umberto Ravaioli
Model simulation hierarchy
Particle Transport Monte Carlo model
Examples of simulations
Umberto Ravaioli - University of Illinois, Urbana-ChampaignNCN@Purdue...
Illinois iOptics Lecture 1: Super Accuracy and Super-Resolution of Molecular Motors and Ion Channels
16 Apr 2010 | Online Presentations | Contributor(s): Paul R Selvin
The standard diffraction limit of light is about 250 nm, meaning that you cannot "resolve" objects closer than this distance. Despite this, we have come up with a method to measure individual...
Ionic Selectivity in Channels: complex biology created by the balance of simple physics
3.5 out of 5 stars
05 Jun 2008 | Online Presentations | Contributor(s): Bob Eisenberg
An important class of biological molecules—proteins called ionic channels—conduct ions (like Na+ , K+ , Ca2+ , and Cl− ) through a narrow tunnel of fixed charge (‘doping’). Ionic...
Lecture 21: Nerves
24 Apr 2008 | Online Presentations | Contributor(s): Paul R Selvin
Ion Channels,Ionic current, Gating current, Digital Ion Channels, Structural studies, X-ray Crystallography
Lecture 22: Conformational Changes in Ion Channels
Voltage dependence, Spontaneous shut-off, Nerve Impulse propagation, Structure Pore Domain, Voltage Sensor
P-N Semiconductor Membranes for Ion Filtering and Rectification
06 Apr 2008 | Online Presentations | Contributor(s): J. P. Leburton
Jean-Pierre Leburton's research at the Beckman Institute deals with transport and optical processes in semiconductor nanostructures such as quantum wires and quantum dots that exhibit a high...
PNP Cyclic Peptide Ion Channel Model
04 Apr 2007 | Tools | Contributor(s): Brian Radak, Hyonseok Hwang, George C. Schatz, Mark A. Ratner
This tool simulates ion flow in a system modeled after cyclic peptide ion channels using Poisson-Nernst-Planck (PNP) theory.
Potassium Channels: Conduction, Selectivity, Blockage, Inactivation, and Gating
03 Nov 2006 | Online Presentations | Contributor(s): Benoit Roux, NCN SLC@Northwestern
The determination of the structure of the KcsA K+ channel from
Streptomyces lividan has made it possible to investigate the function
of a biological channel at the atomic level. Because of its...
Review of Several Quantum Solvers and Applications
11 Jun 2004 | Online Presentations | Contributor(s): Umberto Ravaioli
Spectroscopy and Modeling to Infer Channel Structure and Function
23 Mar 2008 | Online Presentations | Contributor(s): Vishwanath Jogini
We are particularly interested in issues about ion permeation, ion selectivity, gating, and channel inhibitors. We are currently working on the KcsA channel, the OmpF porin, and the gramicidin A>...
[Illinois] Biophysics 401 Lecture 23: Ion Channels II
07 Dec 2015 | Online Presentations | Contributor(s): Paul R Selvin
[Illinois] Biophysics 401 Lecture 24: Ion Channels III
10 Dec 2015 | Online Presentations | Contributor(s): Paul R Selvin
[Illinois] Coarse-grained Simulation of Ion Channels
19 Jun 2012 | Online Presentations | Contributor(s): Umberto Ravaioli
29 Dec 2012 | Online Presentations | Contributor(s): Umberto Ravaioli
This Summer School will train students in molecular simulation and simulation at multiple time and length scales. Instruction will be provided on quantum Monte Carlo simulation, molecular...