Herbert A. Hauptman

Herbert A. Hauptman is an American mathematician and Nobel Laureate in Chemistry (1985). He worked with fellow chemist Jerome Karle to refine X-ray crystallography method using a mathematical process to allow much quicker and more accurate analysis of molecular structures by overcoming technical issues. Practical applications of the “direct method” which Hauptman developed include hormones analysis, improved fertilizers, and the development of new antibiotics and pharmaceuticals.

Herbert Hauptman received many awards in his career including Belden Prize in Mathematics 1936, Pure Science Award(Scientific Research Society of America) 1959,American Crystallographic Association Patterson Award 1984 ,Norton Medal SUNY 1986,  ACS Schoellkopf Award 1986,  American Academy of Achievement Gold Plate Award 1986 and Cooke Award SUNY 1987.  (SUNY: State University of New York).

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Herbert A. Hauptman
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1936 Belden Prize in Mathematics, City College of New York

1959 Scientific Research Society of America, Pure Science Award, Naval Research Laboratory

1984 Patterson Award

1985 Nobel Prize in Chemistry, (jointly with Jerome Karle)

1986 Citizen of the Year Award, Buffalo Evening News

1986 Norton Medal, SUNY

1986 Schoellkopf Award, American Chemical Society (Western New York Chapter)

1986 Gold Plate Award, American Academy of Achievement

1987 Cooke Award, SUNY

1987 Establishment of the Eccles-Hauptman Student Award

1988 Humanist Laureate Award from the International Humanist and Ethical Union

1. Xu Hongliang; Hauptman Herbert A Recent advances in direct phasing methods for heavy-atom substructure determination. Acta crystallographica. Section D, Biological crystallography 2006;62(Pt 8):897-900.

2. Xu Hongliang; Weeks Charles M; Hauptman Herbert A Optimizing statistical Shake-and-Bake for Se-atom substructure determination. Acta crystallographica. Section D, Biological crystallography 2005;61(Pt 7):976-81.

3. Xu Hongliang; Hauptman Herbert A Statistical approach to the phase problem. Acta crystallographica. Section A, Foundations of crystallography 2004;60(Pt 2):153-7.

4. Hauptman Herbert A; Langs David A The phase problem in neutron crystallography. Acta crystallographica. Section A, Foundations of crystallography 2003;59(Pt 3):250-4.

5. Xu Hongliang; Hauptman Herbert A On integrating the techniques of direct methods and SIRAS: the probabilistic theory of doublets and its applications. Acta crystallographica. Section A, Foundations of crystallography 2003;59(Pt 1):60-5.

6. Hauptman Herbert A; Guo D Y; Xu Hongliang; Blessing Robert H Algebraic direct methods for few-atoms structure models. Acta crystallographica. Section A, Foundations of crystallography 2002;58(Pt 4):361-9.

7. Xu Hongliang; Hauptman Herbert A; Weeks Charles M Sine-enhanced Shake-and-Bake: the theoretical basis and applications to Se-atom substructures. Acta crystallographica. Section D, Biological crystallography 2002;58(Pt 1):90-6.

8. Arrow K J; Axelrod J; Benacerraf B; Berg P; Bishop J M; Bloembergen N; Brown H C; Cibelli J; Cohen S; Cooper L N; Corey E J; Cronin J W; Curl R; Dulbecco R; Fischer E H; Fitch V L; Fogel R; Friedman J I; Furchgott R F; Gell-Mann M; Gilbert W; Gilman A; Glaser D; Glashow S L; Green R M; Greengard P; Guillemin R; Hayflick L; Hauptman H A; Heckman J J; Heeger A; Herschbach D; Hubel D H; Hulse R; Kandel E; Karle J; Klein L R; Kohn W; Kornberg A; Krebs E G; Lanza R P; Laughlin R; Lederman L; Lee D M; Lewis E; Lipscomb W; Marcus R A; McFadden D; Merrifield R B; Merton R; Modigliani F; Molina M J; Murad F; Nirenberg M W; North D C; Olah G A; Osheroff D; Palade G E; Perl M; Ramsey N F; Richter B; Roberts R J; Samuelson P A; Schwartz M; Sharp P A; Smalley R E; Smith H O; Solow R M; Stormer H; Taube H; Taylor R; Thomas E D; Tobin J; Tonegawa S; Townes C; Watson J D; Weinberg S; Weller T H; West M D; Wieschaus E F; Wiesel T N; Wilson R W Nobel laureates’ letter to President Bush. Washington post (Washington, D.C. : 1974) 2001;():A02.

9. Xu H; Hauptman H A On the extrapolation of the magnitudes magnitude of E of the normalized structure factors E. Acta crystallographica. Section A, Foundations of crystallography 2000;56 ( Pt 3)():284-7.

10. Weeks C M; Xu H; Hauptman H A; Shen Q Shake-and-Bake applications using simulated reference-beam data for crambin. Acta crystallographica. Section A, Foundations of crystallography 2000;56 ( Pt 3)():280-3.

11. Xu H; Weeks C M; Deacon A M; Miller R; Hauptman H A Ill-conditioned Shake-and-Bake: the trap of the false minimum. Acta crystallographica. Section A, Foundations of crystallography 2000;56 ( Pt 2)():112-8.

12. Xu H; Hauptman H A; Weeks C M; Miller R P1 Shake-and-Bake: can success be guaranteed? Acta crystallographica. Section D, Biological crystallography 2000;56(Pt 2):238-40.

13. Hauptman H A; Xu H; Weeks C M; Miller R Exponential Shake-and-Bake: theoretical basis and applications. Acta crystallographica. Section A, Foundations of crystallography 1999;55 ( Pt 5)():891-900.

14. Smith G D; Nagar B; Rini J M; Hauptman H A; Blessing R H The use of SnB to determine an anomalous scattering substructure. Acta crystallographica. Section D, Biological crystallography 1998;54(Pt 5):799-804.

15. Hauptman H Phasing methods for protein crystallography. Current opinion in structural biology 1997;7(5):672-80.

16. Smith G D; Blessing R H; Ealick S E; Fontecilla-Camps J C; Hauptman H A; Housset D; Langs D A; Miller R Ab initio structure determination and refinement of a scorpion protein toxin. Acta crystallographica. Section D, Biological crystallography 1997;53(Pt 5):551-7.

17. Chang C S; Weeks C M; Miller R; Hauptman H A Incorporating tangent refinement in the Shake-and-Bake formalism. Acta crystallographica. Section A, Foundations of crystallography 1997;53 ( Pt 4)():436-44.

18. Guo D Y; Blessing R H; Langs D A; Hauptman H A On integrating the techniques of direct methods with anomalous dispersion. IV. A simplified perturbation treatment for SAS phasing. Acta crystallographica. Section A, Foundations of crystallography 1997;53 ( Pt 1)():74-83.

19. Hauptman H A Shake-and-bake: an algorithm for automatic solution ab initio of crystal structures. Methods in enzymology 1997;277():3-13.

20. Hauptman H A The SAS maximal principle: a new approach to the phase problem. Acta crystallographica. Section A, Foundations of crystallography 1996;52 ( Pt 3)():490-6.

21. Langs D A; Guo D; Hauptman H A Use of ’random-atom” phasing models to determine macromolecular heavy-atom replacement positions. Acta crystallographica. Section D, Biological crystallography 1995;51(Pt 6):1020-4.

22. Hauptman H Looking ahead. Acta crystallographica. Section B, Structural science 1995;51 ( Pt 4)():416-22.

23. Langs D A; Guo D; Hauptman H A TDSIR phasing: direct use of phase-invariant distributions in macromolecular crystallography. Acta crystallographica. Section A, Foundations of crystallography 1995;51 ( Pt 4)():535-42.

24. Weeks C M; Hauptman H A; Smith G D; Blessing R H; Teeter M M; Miller R Crambin: a direct solution for a 400-atom structure. Acta crystallographica. Section D, Biological crystallography 1995;51(Pt 1):33-8.

25. Langs D A; Miller R; Hauptman H A; Han G W Use of the minimal function for partial structure development in direct methods. Acta crystallographica. Section A, Foundations of crystallography 1995;51 ( Pt 1)():81-7.

26. Guo D Y; Blessing R H; Hauptman H A On integrating the techniques of direct methods with anomalous dispersion. III. Estimation of two-wavelength two-phase structure invariants. Acta crystallographica. Section A, Foundations of crystallography 1994;50 ( Pt 3)():307-11.

27. Weeks C M; DeTitta G T; Hauptman H A; Thuman P; Miller R Structure solution by minimal-function phase refinement and Fourier filtering. II. Implementation and applications. Acta crystallographica. Section A, Foundations of crystallography 1994;50 ( Pt 2)():210-20.

28. DeTitta G T; Weeks C M; Thuman P; Miller R; Hauptman H A Structure solution by minimal-function phase refinement and Fourier filtering. I. Theoretical basis. Acta crystallographica. Section A, Foundations of crystallography 1994;50 ( Pt 2)():203-10.

29. Miller R; DeTitta G T; Jones R; Langs D A; Weeks C M; Hauptman H A On the application of the minimal principle to solve unknown structures. Science (New York, N.Y.) 1993;259(5100):1430-3.

30. Weeks C M; DeTitta G T; Miller R; Hauptman H A Application of the minimal principle to peptide structures. Acta crystallographica. Section D, Biological crystallography 1993;49(Pt 1):179-81.

31. Hauptman H; Han F Phasing macromolecular structures via structure-invariant algebra. Acta crystallographica. Section D, Biological crystallography 1993;49(Pt 1):3-8.

32. Guo D Y; Blessing R H; Hauptman H A On integrating the techniques of direct methods with anomalous dispersion. II. Statistical properties of the two-phase structure invariants. Acta crystallographica. Section A, Foundations of crystallography 1991;47 ( Pt 4)():340-5.

33. Dorset D L; Hauptman H A Direct phase determination for quasi-kinematical electron diffraction intensity data from organic microcrystals. Ultramicroscopy 1976;1(3):195-201.

34. Cody V; Duax W L; Hauptman H Conformational analysis of aromatic amino acids by x-ray crystallography. International journal of peptide and protein research 1973;5(5):297-308.

35. Duax W L; Hauptman H The crystal structure and molecular conformation of aldosterone. Journal of the American Chemical Society 1972;94(15):5467-71.

36. Duax W L; Hauptman H; Weeks C M; Norton D A Valinomycin crystal structure determination by direct methods. Science (New York, N.Y.) 1972;176(37):911-4.

37. Hauptman H A Acute tendinitis calcarea. New York state journal of medicine 1970;70(8):955-61.

38. Cooper A; Norton D A; Hauptman H Estrogenic steroids. 3. The crystal and molecular structure of estriol. Acta crystallographica. Section B: Structural crystallography and crystal chemistry 1969;25(5):814-28.

39. Hauptman H; Fisher J; Hancock H; Norton D A Phase determination for the estriol structure. Acta crystallographica. Section B: Structural crystallography and crystal chemistry 1969;25(5):811-4.



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    Research and Adjunct Professor
    Department of Computer Science, University of Buffalo