Reaction coordinate of an enzymatic reaction revealed by transition path sampling

Proceedings of the National Academy of Sciences of the United States of America

Volumn 104, Issue 30, 2007, Pages 12253-12258

  Quaytman, Sara L ^a   Schwartz, Steven D ^a  

^a ALBERT EINSTEIN COLLEGE OF MEDICINE   (United States)

Author keywords

Catalysis; Protein dynamics

Indexed keywords

LACTATE DEHYDROGENASE;

ARTICLE; COMPRESSION; ENZYME ACTIVE SITE; ENZYME MECHANISM; ENZYME SUBSTRATE COMPLEX; HYDROGEN BOND; MOTION; PRIORITY JOURNAL; PROTON TRANSPORT;

BINDING SITES; COMPUTER SIMULATION; HUMANS; LACTATE DEHYDROGENASES; MODELS, MOLECULAR; NAD; PROBABILITY; PROTEIN STRUCTURE, TERTIARY; PYRUVIC ACID;

EID: 34547628903     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.0704304104     Document Type: Article

References (20)

1. Garcia-Viloca M, Gao J, Karplus M, Truhlar DG (2004) Science 303:186-195.
2. Hammes-Schiffer S (2002) Biochemistry 41:13335-13343.
3. Garcia-Viloca M, Truhlar D, Gao J (2003) Biochemistry 42:13558-13575.
4. Cui Q, Karplus M (2002) J Phys Chem B 106:7927-7947.
5. Antoniou D, Schwartz SD (2001) J Phys Chem B 105:5553-5558.
6. Caratzoulas S, Mincer JS, Schwartz SD (2002) J Am Chem Soc 124:3270-3276.
7. Basner JE, Schwartz SD (2004) J Phys Chem B 108:444-451.
8. Basner JE, Schwartz SD (2005) J Am Chem Soc 127:13822-13831.
9. Bolhuis P, Chandler D, Dellago C, Geissler P (2002) Annu Rev Phys Chem 53:291-318.
10. Phillip L. Geissler CD, Chandler D (1999) J Phys Chem B 103:3706-3710.
11. Hagan M, Dinner A, Chandler D, Chakraborty A (2003) Proc Natl Acad Sci USA 100:13922-13927.
12. Snow C, Rhee Y, Pande V (2006) Biophys J 91:14-24.
13. Juraszek J, Bolhuis P (2006) Proc Natl Acad Sci USA 103:15859-15864.
14. Bolhuis P, Dellago C, Chandler D (2000) Proc Natl Acad Sci USA 97:5877-5882.
15. Ma A, Dinner A (2005) J Phys Chem B 109:6769-6779.
16. Read J, Winter V, Eszes C, Sessions R, Brady R (2001) Proteins Struct Funct Genet 43:175-185.
17. Brooks BR, Bruccoleri RE, Olafson BD, States DJ, Swaminathan S, Karplus M (1983) J Comput Chem 4:187-217.
18. Gao J, Amara P, Alhambra C, Field M (1998) J Phys Chem A 102:4714-4721.
19. Dellago C, Bolhuis P, Geissler P (2001) Adv Chem Phys 123:1-86.
20. Bolhuis P, Dellago C, Chandler D (1998) Faraday Discuss 110:421-436.