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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

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Reference TypeJournal (article/letter/editorial)
TitleA comparison of the AM1 and PM3 semiempirical models for evaluating model compounds relevant to catalysis by serine proteases
JournalJournal Of The American Chemical Society
AuthorsSchroeder, StefanAuthor
Daggett, ValerieAuthor
Kollman, PeterAuthor
Year1991 (November)Volume113
Issue23
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja00023a046Search in ResearchGate
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Mindat Ref. ID1453487Long-form Identifiermindat:1:5:1453487:2
GUID0
Full ReferenceSchroeder, 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
Plain TextSchroeder, 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
In(1991, November) Journal Of The American Chemical Society Vol. 113 (23) American Chemical Society (ACS)

See Also

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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
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
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
Pearlman, David A., Kollman, Peter A. (1991) Evaluating the assumptions underlying force field development and application using free energy conformational maps for nucleosides. Journal Of The American Chemical Society, 113 (19) 7167-7177 doi:10.1021/ja00019a012
Spencer, Robin W., Tam, Tim Fat., Thomas, Everton., Robinson, Valerie J., Krantz, Allen. (1986) Ynenol lactones: synthesis and investigation of reactions relevant to their inactivation of serine proteases. Journal Of The American Chemical Society, 108 (18) 5589-5597 doi:10.1021/ja00278a038
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
Schroeder, Stefan, Thiel, Walter (1985) Comparison of semiempirical and ab initio transition states. Journal Of The American Chemical Society, 107 (15) 4422-4430 doi:10.1021/ja00301a010
Ferguson, David M., Gould, Ian R., Glauser, William A., Schroeder, Stefan, Kollman, Peter A. (1992) Comparison ofab initio, semiempirical, and molecular mechanics calculations for the conformational analysis of ring systems. Journal of Computational Chemistry, 13 (4). 525-532 doi:10.1002/jcc.540130413
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
Schroeder, Stefan., Thiel, Walter. (1986) Correlation effects on semiempirical transition states. Journal Of The American Chemical Society, 108 (25) 7985-7989 doi:10.1021/ja00285a017
Gundertofte, Klaus, Palm, Jonas, Pettersson, Ingrid, Stamvik, Anders (1991) A comparison of conformational energies calculated by molecular mechanics (MM2(85), Sybyl 5.1, Sybyl 5.21, and ChemX) and semiempirical (AM1 and PM3) methods. Journal of Computational Chemistry, 12 (2). 200-208 doi:10.1002/jcc.540120209
 
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