Seminal and Historical Papers on Molecular Modeling

Jeffrey L. Nauss Jeffrey.Nauss at UC.EDU
Fri Jan 19 09:46:57 EST 1996


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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