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, Martin
Published in Biochemistry (Easton) (18.06.1991)
Published in Biochemistry (Easton) (18.06.1991)
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Journal Article
Free Energy Calculations by Computer Simulation
Bash, P. A., Singh, U. C., Langridge, R., Kollman, P. A.
Published in Science (American Association for the Advancement of Science) (01.05.1987)
Published in Science (American Association for the Advancement of Science) (01.05.1987)
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Journal Article
Structure of the triosephosphate isomerase-phosphoglycolohydroxamate complex: an analog of the intermediate on the reaction pathway
Davenport, Robert C, Bash, Paul A, Seaton, Barbara A, Karplus, Martin, Petsko, Gregory A, Ringe, Dagmar
Published in Biochemistry (Easton) (01.06.1991)
Published in Biochemistry (Easton) (01.06.1991)
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Journal Article
A test of the utility of plane-waves for the study of molecules from first principles
Rappe, Andrew M, Joannopoulos, J. D, Bash, P. A
Published in Journal of the American Chemical Society (01.07.1992)
Published in Journal of the American Chemical Society (01.07.1992)
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Journal Article
Simulation of the Enzyme Reaction Mechanism of Malate Dehydrogenase
Cunningham, Mark A, Ho, L. Lawrence, Nguyen, Dzung T, Gillilan, Richard E, Bash, Paul A
Published in Biochemistry (Easton) (22.04.1997)
Published in Biochemistry (Easton) (22.04.1997)
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Journal Article
A phylogenetic approach to target selection for structural genomics: solution structure of YciH
Cort, John R., Koonin, Eugene V., Bash, Paul A., Kennedy, Michael A.
Published in Nucleic acids research (15.10.1999)
Published in Nucleic acids research (15.10.1999)
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Journal Article
An approach to the application of free energy perturbation methods using molecular dynamics: applications to the transformations of CH3OH→CH3CH3, H3O+→NH4+, glycine→alanine, and alanine→phenylalanine in aqueous solution and to H3O+(H2O)3→NH4+(H2O)3 in the gas phase
SINGH, U. C, BROWN, F. K, BASH, P. A, KOLLMAN, P. A
Published in Journal of the American Chemical Society (18.03.1987)
Published in Journal of the American Chemical Society (18.03.1987)
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Journal Article
Interactive Molecular Modeling with Virtual Reality and Empirical Energy Simulations
Cruz-neira, C., Langley, R., Bash, P. A.
Published in SAR and QSAR in environmental research (01.01.1998)
Published in SAR and QSAR in environmental research (01.01.1998)
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Journal Article