266 related articles for article (PubMed ID: 28905418)
1. Misunderstanding the preorganization concept can lead to confusions about the origin of enzyme catalysis.
Jindal G; Warshel A
Proteins; 2017 Dec; 85(12):2157-2161. PubMed ID: 28905418
[TBL] [Abstract][Full Text] [Related]
2. Ketosteroid isomerase provides further support for the idea that enzymes work by electrostatic preorganization.
Kamerlin SC; Sharma PK; Chu ZT; Warshel A
Proc Natl Acad Sci U S A; 2010 Mar; 107(9):4075-80. PubMed ID: 20150513
[TBL] [Abstract][Full Text] [Related]
3. Toward accurate screening in computer-aided enzyme design.
Roca M; Vardi-Kilshtain A; Warshel A
Biochemistry; 2009 Apr; 48(14):3046-56. PubMed ID: 19161327
[TBL] [Abstract][Full Text] [Related]
4. The catalytic effect of dihydrofolate reductase and its mutants is determined by reorganization energies.
Liu H; Warshel A
Biochemistry; 2007 May; 46(20):6011-25. PubMed ID: 17469852
[TBL] [Abstract][Full Text] [Related]
5. Computer simulations of enzyme catalysis: methods, progress, and insights.
Warshel A
Annu Rev Biophys Biomol Struct; 2003; 32():425-43. PubMed ID: 12574064
[TBL] [Abstract][Full Text] [Related]
6. How much do enzymes really gain by restraining their reacting fragments?
Shurki A; Strajbl M; Villà J; Warshel A
J Am Chem Soc; 2002 Apr; 124(15):4097-107. PubMed ID: 11942849
[TBL] [Abstract][Full Text] [Related]
7. Preorganization and protein dynamics in enzyme catalysis.
Rajagopalan PT; Benkovic SJ
Chem Rec; 2002; 2(1):24-36. PubMed ID: 11933259
[TBL] [Abstract][Full Text] [Related]
8. The entropic contributions in vitamin B12 enzymes still reflect the electrostatic paradigm.
Schopf P; Mills MJ; Warshel A
Proc Natl Acad Sci U S A; 2015 Apr; 112(14):4328-33. PubMed ID: 25805820
[TBL] [Abstract][Full Text] [Related]
9. Computer simulations of enzyme catalysis: finding out what has been optimized by evolution.
Warshel A; Florián J
Proc Natl Acad Sci U S A; 1998 May; 95(11):5950-5. PubMed ID: 9600897
[TBL] [Abstract][Full Text] [Related]
10. Energy considerations show that low-barrier hydrogen bonds do not offer a catalytic advantage over ordinary hydrogen bonds.
Warshel A; Papazyan A
Proc Natl Acad Sci U S A; 1996 Nov; 93(24):13665-70. PubMed ID: 8942991
[TBL] [Abstract][Full Text] [Related]
11. Molecular dynamics explorations of active site structure in designed and evolved enzymes.
Osuna S; Jiménez-Osés G; Noey EL; Houk KN
Acc Chem Res; 2015 Apr; 48(4):1080-9. PubMed ID: 25738880
[TBL] [Abstract][Full Text] [Related]
12. Structural reorganization and preorganization in enzyme active sites: comparisons of experimental and theoretically ideal active site geometries in the multistep serine esterase reaction cycle.
Smith AJ; Müller R; Toscano MD; Kast P; Hellinga HW; Hilvert D; Houk KN
J Am Chem Soc; 2008 Nov; 130(46):15361-73. PubMed ID: 18939839
[TBL] [Abstract][Full Text] [Related]
13. The empirical valence bond as an effective strategy for computer-aided enzyme design.
Vardi-Kilshtain A; Roca M; Warshel A
Biotechnol J; 2009 Apr; 4(4):495-500. PubMed ID: 19229886
[TBL] [Abstract][Full Text] [Related]
14. Regulation and Plasticity of Catalysis in Enzymes: Insights from Analysis of Mechanochemical Coupling in Myosin.
Lu X; Ovchinnikov V; Demapan D; Roston D; Cui Q
Biochemistry; 2017 Mar; 56(10):1482-1497. PubMed ID: 28225609
[TBL] [Abstract][Full Text] [Related]
15. Theoretical modeling of enzyme catalytic power: analysis of "cratic" and electrostatic factors in catechol O-methyltransferase.
Roca M; Martí S; Andrés J; Moliner V; Tuñón I; Bertrán J; Williams IH
J Am Chem Soc; 2003 Jun; 125(25):7726-37. PubMed ID: 12812514
[TBL] [Abstract][Full Text] [Related]
16. Methyltransferases do not work by compression, cratic, or desolvation effects, but by electrostatic preorganization.
Lameira J; Bora RP; Chu ZT; Warshel A
Proteins; 2015 Feb; 83(2):318-30. PubMed ID: 25388538
[TBL] [Abstract][Full Text] [Related]
17. Solute solvent dynamics and energetics in enzyme catalysis: the S(N)2 reaction of dehalogenase as a general benchmark.
Olsson MH; Warshel A
J Am Chem Soc; 2004 Nov; 126(46):15167-79. PubMed ID: 15548014
[TBL] [Abstract][Full Text] [Related]
18. Advances in optimizing enzyme electrostatic preorganization.
Hennefarth MR; Alexandrova AN
Curr Opin Struct Biol; 2022 Feb; 72():1-8. PubMed ID: 34280872
[TBL] [Abstract][Full Text] [Related]
19. Electrostatic contributions to binding of transition state analogues can be very different from the corresponding contributions to catalysis: phenolates binding to the oxyanion hole of ketosteroid isomerase.
Warshel A; Sharma PK; Chu ZT; Aqvist J
Biochemistry; 2007 Feb; 46(6):1466-76. PubMed ID: 17279612
[TBL] [Abstract][Full Text] [Related]
20. On catalytic preorganization in oxyanion holes: highlighting the problems with the gas-phase modeling of oxyanion holes and illustrating the need for complete enzyme models.
Kamerlin SC; Chu ZT; Warshel A
J Org Chem; 2010 Oct; 75(19):6391-401. PubMed ID: 20825150
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
