PickwardBashMD

PubMed

• Van der waals surfaces in molecular modeling: implementation with real-time computer graphics.
  Bash, P. A., Pattabiraman, N., Huang, C., Ferrin, T. E., Langridge, R.> ;Science. 1983 Dec 23
• Progress toward chemical accuracy in the computer simulation of condensed phase reactions.
  Bash, P. A., Ho, L. L., MacKerell, A. D., Levine, D., Hallstrom, P.> ;Proc Natl Acad Sci U S A. 1996 Apr 16
• The importance of reactant positioning in enzyme catalysis: a hybrid quantum mechanics/molecular mechanics study of a haloalkane dehalogenase.
  Lau, E. Y., Kahn, K., Bash, P. A., Bruice, T. C.> ;Proc Natl Acad Sci U S A. 2000 Aug 29
• A phylogenetic approach to target selection for structural genomics: solution structure of YciH.
  Cort, J. R., Koonin, E. V., Bash, P. A., Kennedy, M. A.> ;Nucleic Acids Res. 1999 Oct 15
• Distribution of protein folds in the three superkingdoms of life.
  Wolf, Y. I., Brenner, S. E., Bash, P. A., Koonin, E. V.> ;Genome Res. 1999 Jan
• Computational enzymology.
  Cunningham, M. A., Bash, P. A.> ;Biochimie. 1997 Nov
• Simulation of the enzyme reaction mechanism of malate dehydrogenase.
  Cunningham, M. A., Ho, L. L., Nguyen, D. T., Gillilan, R. E., Bash, P. A.> ;Biochemistry. 1997 Apr 22
• Combining Laue diffraction and molecular dynamics to study enzyme intermediates.
  Stoddard, B. L., Dean, A., Bash, P. A.> ;Nat Struct Biol. 1996 Jul
• Calculation of the relative change in binding free energy of a protein-inhibitor complex.
  Bash, P. A., Singh, U. C., Brown, F. K., Langridge, R., Kollman, P. A.> ;Science. 1987 Jan 30
• Free energy calculations by computer simulation.
  Bash, P. A., Singh, U. C., Langridge, R., Kollman, P. A.> ;Science. 1987 May 1
• Free energy perturbation calculations on binding and catalysis after mutating Asn 155 in subtilisin.
  Rao, S. N., Singh, U. C., Bash, P. A., Kollman, P. A.> ;Nature. 1987 Aug 06
• Structure of nogalamycin bound to a DNA hexamer.
  Williams, L. D., Egli, M., Qi, G., Bash, P., van der Marel, G. A., van Boom, J. H., Rich, A., Frederick, C. A.> ;Proc Natl Acad Sci U S A. 1990 Mar
• Computer simulation and analysis of the reaction pathway of triosephosphate isomerase.
  Bash, P. A., Field, M. J., Davenport, R. C., Petsko, G. A., Ringe, D., Karplus, M.> ;Biochemistry. 1991 Jun 18
• Structure of the triosephosphate isomerase-phosphoglycolohydroxamate complex: an analogue of the intermediate on the reaction pathway.
  Davenport, R. C., Bash, P. A., Seaton, B. A., Karplus, M., Petsko, G. A., Ringe, D.> ;Biochemistry. 1991 Jun 18
• Simulation analysis of triose phosphate isomerase: conformational transition and catalysis.
  Karplus, M., Evanseck, J. D., Joseph, D., Bash, P. A., Field, M. J.> ;Faraday Discuss. 1992
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