169 related articles for article (PubMed ID: 12797836)
21. Target-related applications of first principles quantum chemical methods in drug design.
Cavalli A; Carloni P; Recanatini M
Chem Rev; 2006 Sep; 106(9):3497-519. PubMed ID: 16967914
[No Abstract] [Full Text] [Related]
22. Development of glycyl radical parameters for the OPLS-AA/L force field.
Komáromi I; Owen MC; Murphy RF; Lovas S
J Comput Chem; 2008 Sep; 29(12):1999-2009. PubMed ID: 18366017
[TBL] [Abstract][Full Text] [Related]
23. Computational approaches: reaction trajectories, structures, and atomic motions. Enzyme reactions and proficiency.
Bruice TC
Chem Rev; 2006 Aug; 106(8):3119-39. PubMed ID: 16895321
[No Abstract] [Full Text] [Related]
24. Radical trapping properties of 3-aryl-2H-benzo[1,4]oxazin-4-oxides.
Astolfi P; Marini M; Stipa P
J Org Chem; 2007 Nov; 72(23):8677-82. PubMed ID: 17944517
[TBL] [Abstract][Full Text] [Related]
25. Modelling enzyme reaction mechanisms, specificity and catalysis.
Mulholland AJ
Drug Discov Today; 2005 Oct; 10(20):1393-402. PubMed ID: 16253878
[TBL] [Abstract][Full Text] [Related]
26. Quantum chemical characterization of the structures, thermochemical properties, and singlet-triplet splittings of didehydroquinolinium and didehydroisoquinolinium ions.
Nash JJ; Kenttämaa HI; Cramer CJ
J Phys Chem A; 2005 Nov; 109(45):10348-56. PubMed ID: 16833330
[TBL] [Abstract][Full Text] [Related]
27. Quantum mechanical calculations on biological systems.
Friesner RA; Beachy MD
Curr Opin Struct Biol; 1998 Apr; 8(2):257-62. PubMed ID: 9631302
[TBL] [Abstract][Full Text] [Related]
28. Strong magnetic interactions through weak bonding interactions in organometallic radicals: combined experimental and theoretical study.
Cauchy T; Ruiz E; Jeannin O; Nomura M; Fourmigué M
Chemistry; 2007; 13(31):8858-66. PubMed ID: 17661321
[TBL] [Abstract][Full Text] [Related]
29. Time-resolved studies of radical pairs.
Woodward JR; Foster TJ; Jones AR; Salaoru AT; Scrutton NS
Biochem Soc Trans; 2009 Apr; 37(Pt 2):358-62. PubMed ID: 19290862
[TBL] [Abstract][Full Text] [Related]
30. Oxidation of tryptamine and 5-hydroxytryptamine: a pulse radiolysis and quantum chemical study.
Gaikwad P; Priyadarsini KI; Naumov S; Rao BS
J Phys Chem A; 2009 Jul; 113(29):8249-57. PubMed ID: 19569709
[TBL] [Abstract][Full Text] [Related]
31. Searching for new allosteric sites in enzymes.
Hardy JA; Wells JA
Curr Opin Struct Biol; 2004 Dec; 14(6):706-15. PubMed ID: 15582395
[TBL] [Abstract][Full Text] [Related]
32. Modeling enzymatic reactions involving transition metals.
Siegbahn PE; Borowski T
Acc Chem Res; 2006 Oct; 39(10):729-38. PubMed ID: 17042473
[TBL] [Abstract][Full Text] [Related]
33. Hybrid quantum/classical path integral approach for simulation of hydrogen transfer reactions in enzymes.
Wang Q; Hammes-Schiffer S
J Chem Phys; 2006 Nov; 125(18):184102. PubMed ID: 17115733
[TBL] [Abstract][Full Text] [Related]
34. QM/MM studies of enzymes.
Senn HM; Thiel W
Curr Opin Chem Biol; 2007 Apr; 11(2):182-7. PubMed ID: 17307018
[TBL] [Abstract][Full Text] [Related]
35. Quantum enzymology. Tunnel vision.
Ringe D; Petsko GA
Nature; 1999 Jun; 399(6735):417-8. PubMed ID: 10365952
[No Abstract] [Full Text] [Related]
36. A crossed beams and ab initio investigation on the formation of cyanodiacetylene in the reaction of cyano radicals with diacetylene.
Zhang F; Kim S; Kaiser RI; Jamal A; Mebel AM
J Chem Phys; 2009 Jun; 130(23):234308. PubMed ID: 19548728
[TBL] [Abstract][Full Text] [Related]
37. First-principles prediction of rate coefficients for free-radical cyclization reactions at selenium.
Lobachevsky S; Schiesser CH; Lin CY; Coote ML
J Phys Chem A; 2008 Dec; 112(51):13622-7. PubMed ID: 19053803
[TBL] [Abstract][Full Text] [Related]
38. Magneto-structural relationships for radical cation and neutral pyridinophane structures with intrabridgehead nitrogen atoms. An integrated experimental and quantum mechanical study.
Williams F; Chen GF; Mattar SM; Scudder PH; Trieber DA; Saven JG; Whritenour DC; Cimino P; Barone V
J Phys Chem B; 2009 Jul; 113(26):9026-34. PubMed ID: 19507811
[TBL] [Abstract][Full Text] [Related]
39. The cysteine radical cation: structures and fragmentation pathways.
Zhao J; Siu KW; Hopkinson AC
Phys Chem Chem Phys; 2008 Jan; 10(2):281-8. PubMed ID: 18213413
[TBL] [Abstract][Full Text] [Related]
40. Nuclear magnetic resonance relaxation methodology: application to enzyme systems.
Kasturi SR; Jarori GK; Iyer SB; Kenkare UW
Indian J Biochem Biophys; 1990 Aug; 27(4):187-94. PubMed ID: 2286381
[No Abstract] [Full Text] [Related]
[Previous] [Next] [New Search]