11. Journal of Computer-Aided Molecular Design
Publishes articles on the theory and the application of computer-based methods in the analysis and design of molecules. This includes theoretical chemistry, computational chemistry, computer and molecular graphics, molecular modeling, protein engineering, drug design, expert systems, general structure-property relationships, molecular dynamics, and chemical database development and usage.
http://www.kluweronline.com/issn/0920-654X
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Rating: [0.00] Votes: [0] Hits: [316] | May 7, 2006 |
12. Morrison, Carole
Application of plane-wave density functional theory to molecular systems (University of Edinburgh).
http://www.ed.ac.uk/~cam01
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Rating: [0.00] Votes: [0] Hits: [308] | May 7, 2006 |
13. Computational Chemistry Resources
Directory of links related to computational chemistry. Offers several tutorials for understanding the basics of molecular structure and molecular modeling techniques.
http://www.chem.swin.edu.au/chem_ref.html
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Rating: [0.00] Votes: [0] Hits: [293] | May 7, 2006 |
15. Aspuru-Guzik, Alan
Theoretical physical chemistry. In particular, interested in the electronic structure of atoms and molecules and in statistical mechanics.
http://alan.aspuru.com
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Rating: [0.00] Votes: [0] Hits: [278] | May 7, 2006 |
17. ACS Division of Computers in Chemistry
A unit of the American Chemical Society. Includes newsletters, programs of past and future division meetings, and information on awards presented by the division.
http://membership.acs.org/C/COMP/
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Rating: [0.00] Votes: [0] Hits: [269] | May 7, 2006 |
18. Ryzhkov, Andrew
Theoretical modeling of chemical systems and quantum chemical investigation of reaction mechanisms. Simulation of complex non-linear chemical reactions. Curriculum vitae an software.
http://redandr.tripod.com
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Rating: [0.00] Votes: [0] Hits: [241] | May 7, 2006 |
19. Computational Chemistry Roadmap
Identifies future scientific challenges in computational chemistry from the perspective of the U.S. chemical industry.
http://www.oit.doe.gov/chemicals/visions_compchemistry.shtml
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Rating: [0.00] Votes: [0] Hits: [236] | May 7, 2006 |
20. Molecular Docking Web
Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources.
http://www.scripps.edu/mb/olson/people/gmm/
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Rating: [0.00] Votes: [0] Hits: [233] | May 7, 2006 |
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