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Daggett, Valerie, Schroeder, Stefan, Kollman, Peter (1991) Catalytic pathway of serine proteases: classical and quantum mechanical calculations. Journal Of The American Chemical Society, 113 (23) 8926-8935 doi:10.1021/ja00023a047

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Reference TypeJournal (article/letter/editorial)
TitleCatalytic pathway of serine proteases: classical and quantum mechanical calculations
JournalJournal Of The American Chemical Society
AuthorsDaggett, ValerieAuthor
Schroeder, StefanAuthor
Kollman, PeterAuthor
Year1991 (November)Volume113
Issue23
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja00023a047Search in ResearchGate
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Mindat Ref. ID1453491Long-form Identifiermindat:1:5:1453491:5
GUID0
Full ReferenceDaggett, Valerie, Schroeder, Stefan, Kollman, Peter (1991) Catalytic pathway of serine proteases: classical and quantum mechanical calculations. Journal Of The American Chemical Society, 113 (23) 8926-8935 doi:10.1021/ja00023a047
Plain TextDaggett, Valerie, Schroeder, Stefan, Kollman, Peter (1991) Catalytic pathway of serine proteases: classical and quantum mechanical calculations. Journal Of The American Chemical Society, 113 (23) 8926-8935 doi:10.1021/ja00023a047
In(1991, November) Journal Of The American Chemical Society Vol. 113 (23) American Chemical Society (ACS)

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Schroeder, Stefan, Daggett, Valerie, Kollman, Peter (1991) A comparison of the AM1 and PM3 semiempirical models for evaluating model compounds relevant to catalysis by serine proteases. Journal Of The American Chemical Society, 113 (23) 8922-8925 doi:10.1021/ja00023a046
Kollman, Peter A., Hayes, David M. (1981) Theoretical calculations on proton-transfer energetics: studies of methanol, imidazole, formic acid, and methaneethiol as models for the serine and cysteine proteases. Journal Of The American Chemical Society, 103 (11) 2955-2961 doi:10.1021/ja00401a008
Schroeder, Stefan, Buckley, Neil, Oppenheimer, Norman J., Kollman, Peter A. (1992) A quantum chemical study of the type IV nucleophilic substitution reaction and dissociation of the .beta.-nicotinamide glycosyl bond in the gas phase using semiempirical PM3 calculations. Journal Of The American Chemical Society, 114 (21) 8232-8238 doi:10.1021/ja00047a038
Daggett, Valerie, Brown, Frank, Kollman, Peter (1989) Free energy component analysis: a study of the glutamic acid 165 .fwdarw. aspartic acid 165 mutation in triosephosphate isomerase. Journal Of The American Chemical Society, 111 (21) 8247-8256 doi:10.1021/ja00203a028
Lee, Tai-Sung, Kollman, Peter A. (1999) Quantum Mechanical Calculations of Nucleophilic Attack in the Pseudouridine Synthesis Reaction. Journal Of The American Chemical Society, 121 (43) 9928-9931 doi:10.1021/ja991088n
Arad, Dorit, Langridge, Robert, Kollman, Peter A. (1990) A simulation of the sulfur attack in catalytic pathway of papain using molecular mechanics and semiempirical quantum mechanics. Journal Of The American Chemical Society, 112 (2) 491-502 doi:10.1021/ja00158a004
Merz, Kenneth M., Murcko, Mark A., Kollman, Peter A. (1991) Inhibition of carbonic anhydrase. Journal Of The American Chemical Society, 113 (12) 4484-4490 doi:10.1021/ja00012a017
Froimowitz, Mark, Gans, Paul J. (1972) Comparison of semiempirical classical and semiempirical quantum mechanical calculations on acetylcholine. Journal Of The American Chemical Society, 94 (23) 8020-8025 doi:10.1021/ja00778a015
Ishida, Toyokazu, Kato, Shigeki (2004) Role of Asp102 in the Catalytic Relay System of Serine Proteases:  A Theoretical Study. Journal Of The American Chemical Society, 126 (22) 7111-7118 doi:10.1021/ja030405u
Koike, Tohru, Kimura, Eiichi (1991) Roles of zinc(II) ion in phosphatases. A model study with zinc(II)-macrocyclic polyamine complexes. Journal Of The American Chemical Society, 113 (23) 8935-8941 doi:10.1021/ja00023a048
Dang, Liem X., Rice, Julia E., Caldwell, James, Kollman, Peter A. (1991) Ion solvation in polarizable water: molecular dynamics simulations. Journal Of The American Chemical Society, 113 (7) 2481-2486 doi:10.1021/ja00007a021
 
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