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[Illinois] Coarse-grained Simulation of Ion Channels
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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 dynamics, …
[Illinois] MMS 2012: Coarse-grained Simulation of Ion Channels
19 Jun 2012 | Online Presentations | Contributor(s): Umberto Ravaioli
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.
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 …
Hierarchy of Simulation Approaches for Charge Transport Simulation
01 Aug 2008 | Online Presentations | Contributor(s): Omar N Sobh, Umberto Ravaioli
General considerations Model simulation hierarchy Continuum model Particle Transport Monte Carlo model Examples of simulations Umberto Ravaioli - University of Illinois, Urbana-ChampaignNCN@Purdue …
Ionic Selectivity in Channels: complex biology created by the balance of simple physics
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 channels …
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 degree …
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> …
30 May 2006 | Tools | Contributor(s): Reza Toghraee, Umberto Ravaioli
Transport Monte Carlo simulation of conduction in biological Ionic Channels.
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
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 …
From Research to Learning in Chemistry through Visualization and Computation
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 periodic …
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
Structure and Ion Permeation of the Gramicidin Channel using Molecular Dynamics
12 Apr 2004 | Online Presentations | Contributor(s): Toby Allen
Molecular dynamics (MD) has become an essential tool for obtaining microscopic insight into biological function. The gramicidin channel as an excellent benchmark system for this purpose. Using …
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