I'm putting together a collection of seminal and historical papers on molecular
modeling and computational chemistry. Specifically, I'm looking for papers
that made a major contribution to the field and that helped define molecular
modeling. I including in this search just about everything: ab initio,
empirical, small molecule, large molecule, MD, MC, QSAR, etc.
Some papers I already have are Watson & Crick's paper on DNA structure,
Pauling's paper on the alpha helix, Ramachandran's study of allowable phi-psi
angles, and the original papers for AMBER and CHARMM. As you can tell, my own
bias is to large biomolecules with empirical calculations. I need the most
assistance in quantum chemistry and ab initio calculations.
So what do you think are the major papers in molecular modeling and
computational chemistry?
I will produce a summary. Thanks in advance...
--
Jeff Nauss
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* UU UU Jeffrey L. Nauss, PhD *
* UU UU Director, Molecular Modeling Services *
* UU UU Department of Chemistry *
* UU UU CCCCCCC University of Cincinnati *
* UU UU CCCCCCCC Cincinnati, OH 45221-0172 *
* UUUU CC *
* CC Telephone: 513-556-0148 Fax: 513-556-9239 *
* CC *
* CCCCCCCC e-mail: Jeffrey.Nauss at UC.Edu *
* CCCCCCC URL http://www.che.uc.edu/~nauss *
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