222 related articles for article (PubMed ID: 21443179)
1. Challenges and advances in validating enzyme design proposals: the case of kemp eliminase catalysis.
Frushicheva MP; Cao J; Warshel A
Biochemistry; 2011 May; 50(18):3849-58. PubMed ID: 21443179
[TBL] [Abstract][Full Text] [Related]
2. Exploring challenges in rational enzyme design by simulating the catalysis in artificial kemp eliminase.
Frushicheva MP; Cao J; Chu ZT; Warshel A
Proc Natl Acad Sci U S A; 2010 Sep; 107(39):16869-74. PubMed ID: 20829491
[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. Simulating the catalytic effect of a designed mononuclear zinc metalloenzyme that catalyzes the hydrolysis of phosphate triesters.
Singh MK; Chu ZT; Warshel A
J Phys Chem B; 2014 Oct; 118(42):12146-52. PubMed ID: 25233046
[TBL] [Abstract][Full Text] [Related]
5. Computer aided enzyme design and catalytic concepts.
Frushicheva MP; Mills MJ; Schopf P; Singh MK; Prasad RB; Warshel A
Curr Opin Chem Biol; 2014 Aug; 21():56-62. PubMed ID: 24814389
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. 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]
8. Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution.
Khersonsky O; Röthlisberger D; Wollacott AM; Murphy P; Dym O; Albeck S; Kiss G; Houk KN; Baker D; Tawfik DS
J Mol Biol; 2011 Apr; 407(3):391-412. PubMed ID: 21277311
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. The evolution of multiple active site configurations in a designed enzyme.
Hong NS; Petrović D; Lee R; Gryn'ova G; Purg M; Saunders J; Bauer P; Carr PD; Lin CY; Mabbitt PD; Zhang W; Altamore T; Easton C; Coote ML; Kamerlin SCL; Jackson CJ
Nat Commun; 2018 Sep; 9(1):3900. PubMed ID: 30254369
[TBL] [Abstract][Full Text] [Related]
11. Optimization of reorganization energy drives evolution of the designed Kemp eliminase KE07.
Labas A; Szabo E; Mones L; Fuxreiter M
Biochim Biophys Acta; 2013 May; 1834(5):908-17. PubMed ID: 23380188
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. Tuning the Catalytic Activity of Synthetic Enzyme KE15 with DNA.
Zheng Y; Vaissier Welborn V
J Phys Chem B; 2022 May; 126(18):3407-3413. PubMed ID: 35483007
[TBL] [Abstract][Full Text] [Related]
14. The role of reorganization energy in rational enzyme design.
Fuxreiter M; Mones L
Curr Opin Chem Biol; 2014 Aug; 21():34-41. PubMed ID: 24769299
[TBL] [Abstract][Full Text] [Related]
15. Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series.
Khersonsky O; Röthlisberger D; Dym O; Albeck S; Jackson CJ; Baker D; Tawfik DS
J Mol Biol; 2010 Mar; 396(4):1025-42. PubMed ID: 20036254
[TBL] [Abstract][Full Text] [Related]
16. Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Broom A; Rakotoharisoa RV; Thompson MC; Zarifi N; Nguyen E; Mukhametzhanov N; Liu L; Fraser JS; Chica RA
Nat Commun; 2020 Sep; 11(1):4808. PubMed ID: 32968058
[TBL] [Abstract][Full Text] [Related]
17. On the challenge of exploring the evolutionary trajectory from phosphotriesterase to arylesterase using computer simulations.
Bora RP; Mills MJ; Frushicheva MP; Warshel A
J Phys Chem B; 2015 Feb; 119(8):3434-45. PubMed ID: 25620270
[TBL] [Abstract][Full Text] [Related]
18. Hybrid schemes based on quantum mechanics/molecular mechanics simulations goals to success, problems, and perspectives.
Ferrer S; Ruiz-Pernía J; Martí S; Moliner V; Tuñón I; Bertrán J; Andrés J
Adv Protein Chem Struct Biol; 2011; 85():81-142. PubMed ID: 21920322
[TBL] [Abstract][Full Text] [Related]
19. Efficient Base-Catalyzed Kemp Elimination in an Engineered Ancestral Enzyme.
Gutierrez-Rus LI; Alcalde M; Risso VA; Sanchez-Ruiz JM
Int J Mol Sci; 2022 Aug; 23(16):. PubMed ID: 36012203
[TBL] [Abstract][Full Text] [Related]
20. The Importance of the Scaffold for de Novo Enzymes: A Case Study with Kemp Eliminase.
Bhowmick A; Sharma SC; Head-Gordon T
J Am Chem Soc; 2017 Apr; 139(16):5793-5800. PubMed ID: 28383910
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
