Combining computational chemistry and computational electronics to understand protein ion channels

2002 International Conference on Computational Nanoscience and Nanotechnology - ICCN 2002

Volumn , Issue , 2002, Pages 60-63

  Van Der Straaten, T ^a,b   Varma, S ^b   Chiu, S W ^b   Tang, J ^a   Aluru, N ^b   Eisenberg, R ^a   Ravaioli, U ^b   Jakobsson, E ^b  

^a RUSH MEDICAL COLLEGE   (United States)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

Computational electronics; Electrodiffusion; Electrostatics; Ion channels; Molecular dynamics

Indexed keywords

BROWNIAN DYNAMICS; COMPUTATIONAL ELECTRONICS; ELECTRODIFFUSIONS; ION CHANNELS;

ALGORITHMS; CELLS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; ELECTRONIC EQUIPMENT; ELECTROSTATICS; IONIZATION; MEMBRANES; MOLECULAR DYNAMICS; PROTEINS; TRANSISTORS;

IONS;

EID: 6344284692     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

References (9)

1. Cowan SW, Schirmer T, Rummel G, Steiert M, Ghosh R, Pauptit RA, Jansonius JN, Rosenbusch JP. Nature. 1992 Aug 27;358(6389):727-33
2. Erik Lindahl, Berk Hess, David van der Spoel, J Mol Model 7 (2001) 8, 306-317
3. http://mccammon.ucsd.edu/uhbd.html
4. Selberherr, S. "Analysis and Simulation of Semiconductor Devices", (Springer-Verlag, Vienna, 1984).
5. http://www-tcad.stanford.edu/.
6. Antosiewicz, J., McCammon, J. A., & Gilson, M. K. (1994) J. Mol Biol. 238, 415-436.
7. Einstein, A. (1926) Investigations on the Theory of the Brownian Movement. Dover Publications, New York
8. D. Chen, personal communication.
9. B. Corry, S. Kuyucak, S.-H. Chung, 2000 Biophysical J. 78, 2364-2381.