9-Feb-2010
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Arieh Warshel
No longer a member of F1000[ 04-JUL-2001 - 23-NOV-2009 ]
[
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] [
Evaluations
]
Home page
http://laetro.usc.edu/
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Evaluations
Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole.
Sigala PA, Kraut DA, …, Petsko GA, Herschlag D
J Am Chem Soc
2008 Oct 15
130
(41):13696-708 [
abstract on PubMed
] [
related articles
] [
full text
] [
order article
]
Selected by
| Shina Caroline Lynn Kamerlin and Arieh Warshel
Evaluated 9 Jul 2009
Does Water Relay Play an Important Role in Phosphoryl Transfer Reactions? Insights from Theoretical Study of a Model Reaction in Water and tert-Butanol.
Yang Y, Cui Q
J Phys Chem B
2009 Apr 9
113
(14):4930-9 [
abstract on PubMed
] [
related articles
] [
full text
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order article
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Selected by
| Shina Caroline Lynn Kamerlin and Arieh Warshel
Evaluated 13 May 2009
Inhibition of protein tyrosine phosphatase 1B and alkaline phosphatase by bis(maltolato)oxovanadium (IV).
Li M, Ding W, …, Crans DC, Wang R
J Inorg Biochem
2008 Oct
102
(10):1846-53 [
abstract on PubMed
] [
related articles
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full text
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order article
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Selected by
| Shina Caroline Lynn Kamerlin and Arieh Warshel
Evaluated 9 Jan 2009
Anionic charge is prioritized over geometry in aluminum and magnesium fluoride transition state analogs of phosphoryl transfer enzymes.
Baxter NJ, Blackburn GM, …, Wemmer DE, Waltho JP
J Am Chem Soc
2008 Mar 26
130
(12):3952-8 [
abstract on PubMed
] [
related articles
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full text
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order article
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Selected by
| Shina Caroline Lynn Kamerlin and Arieh Warshel
Evaluated 13 Nov 2008
Mismatched dNTP incorporation by DNA polymerase beta does not proceed via globally different conformational pathways.
Tang KH, Niebuhr M, …, Chou CC, Tsai MD
Nucleic Acids Res
2008 May
36
(9):2948-57 [
abstract on PubMed
] [
related articles
] [
FREE full text
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Selected by
| Shina Caroline Lynn Kamerlin and Arieh Warshel
Evaluated 15 Sep 2008
The associative nature of adenylyl transfer catalyzed by T4 DNA ligase.
Cherepanov AV, Doroshenko EV, …, de Vries S, de Groot HJ
Proc Natl Acad Sci U S A
2008 Jun 24
105
(25):8563-8 [
abstract on PubMed
] [
related articles
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full text
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order article
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Selected by
| Shina Caroline Lynn Kamerlin and Arieh Warshel
Evaluated 29 Aug 2008
Theoretical study of specific hydrogen-bonding effects on the bridging P-OR bond strength of phosphate monoester dianions.
Iché-Tarrat N, Barthelat JC, Vigroux A
J Phys Chem B
2008 Mar 13
112
(10):3217-21 [
abstract on PubMed
] [
related articles
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full text
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order article
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Selected by
| Shina Caroline Lynn Kamerlin and Arieh Warshel
Evaluated 4 Aug 2008
Formation and stability of a vinyl carbanion at the active site of orotidine 5'-monophosphate decarboxylase: pKa of the C-6 proton of enzyme-bound UMP.
Amyes TL, Wood BM, …, Gerlt JA, Richard JP
J Am Chem Soc
2008 Feb 6
130
(5):1574-5 [
abstract on PubMed
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related articles
] [
full text
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order article
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Selected by
| Arieh Warshel
Evaluated 24 Jan 2008
Single-molecule and ensemble fluorescence assays for a functionally important conformational change in T7 DNA polymerase.
Luo G, Wang M, Konigsberg WH, Xie XS
Proc Natl Acad Sci U S A
2007 Jul 31
104
(31):12610-5 [
abstract on PubMed
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related articles
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full text
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order article
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Selected by
| Arieh Warshel
Evaluated 17 Dec 2007
The mechanism of rate-limiting motions in enzyme function.
Watt ED, Shimada H, Kovrigin EL, Loria JP
Proc Natl Acad Sci U S A
2007 Jul 17
104
(29):11981-6 [
abstract on PubMed
] [
related articles
] [
full text
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order article
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Selected by
| Arieh Warshel / Mikael Akke
Evaluated 2 Aug 2007
A new paradigm for DNA polymerase specificity.
Tsai YC, Johnson KA
Biochemistry
2006 Aug 15
45
(32):9675-87 [
abstract on PubMed
] [
related articles
] [
full text
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order article
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Selected by
| Karen Allen / Arieh Warshel
Evaluated 1 Mar 2007
Testing electrostatic complementarity in enzyme catalysis: hydrogen bonding in the ketosteroid isomerase oxyanion hole.
Kraut DA, Sigala PA, …, Petsko GA, Herschlag D
PLoS Biol
2006 Apr
4
(4):e99 [
abstract on PubMed
] [
related articles
] [
FREE full text
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Selected by
| Arieh Warshel
Evaluated 12 Jun 2006
Activation of orotidine 5'-monophosphate decarboxylase by phosphite dianion: the whole substrate is the sum of two parts.
Amyes TL, Richard JP, Tait JJ
J Am Chem Soc
2005 Nov 16
127
(45):15708-9 [
abstract on PubMed
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related articles
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full text
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order article
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Selected by
| Karen Allen / Arieh Warshel
Evaluated 24 Mar 2006
Intrinsic dynamics of an enzyme underlies catalysis.
Eisenmesser EZ, Millet O, …, Kay LE, Kern D
Nature
2005 Nov 3
438
(7064):117-21 [
abstract on PubMed
] [
related articles
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full text
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order article
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Selected by
| Kristina Downing / Gottfried Otting / David Cowburn / Arieh Warshel / Laura Itzhaki
Evaluated 22 Nov 2005
Slow solvation dynamics at the active site of an enzyme: implications for catalysis.
Guha S, Sahu K, …, Roy S, Bhattacharyya K
Biochemistry
2005 Jun 28
44
(25):8940-7 [
abstract on PubMed
] [
related articles
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full text
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order article
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Selected by
| Arieh Warshel
Evaluated 1 Sep 2005
A theoretical DFT investigation of the lysozyme mechanism: computational evidence for a covalent intermediate pathway.
Bottoni A, Miscione GP, De Vivo M
Proteins
2005 Apr 1
59
(1):118-30 [
abstract on PubMed
] [
related articles
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full text
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order article
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Selected by
| Arieh Warshel
Evaluated 1 Apr 2005
Computational prediction of structure, substrate binding mode, mechanism, and rate for a malaria protease with a novel type of active site.
Bjelic S, Aqvist J
Biochemistry
2004 Nov 23
43
(46):14521-8 [
abstract on PubMed
] [
related articles
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full text
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order article
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Selected by
| Arieh Warshel
Evaluated 21 Mar 2005
Substrate-assisted catalysis of peptide bond formation by the ribosome.
Weinger JS, Parnell KM, …, Green R, Strobel SA
Nat Struct Mol Biol
2004 Nov
11
(11):1101-6 [
abstract on PubMed
] [
related articles
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full text
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order article
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Selected by
| Reinhard Luehrmann / Arieh Warshel / Samuel Gunderson / Andrea Barta / Shelley Copley / Alfred Wittinghofer
Evaluated 1 Dec 2004
The ribosome as an entropy trap.
Sievers A, Beringer M, Rodnina MV, Wolfenden R
Proc Natl Acad Sci U S A
2004 May 25
101
(21):7897-901 [
abstract on PubMed
] [
related articles
] [
FREE full text
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Selected by
| Ada Yonath / Arieh Warshel
Evaluated 3 Sep 2004
High-energy intermediate or stable transition state analogue: theoretical perspective of the active site and mechanism of beta-phosphoglucomutase.
Webster CE
J Am Chem Soc
2004 Jun 9
126
(22):6840-1 [
abstract on PubMed
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related articles
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full text
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order article
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Selected by
| Arieh Warshel
Evaluated 21 Jul 2004
Photoactivation of the photoactive yellow protein: why photon absorption triggers a trans-to-cis Isomerization of the chromophore in the protein.
Groenhof G, Bouxin-Cademartory M, …, Mark AE, Robb MA
J Am Chem Soc
2004 Apr 7
126
(13):4228-33 [
abstract on PubMed
] [
related articles
] [
full text
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order article
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Selected by
| Arieh Warshel
Evaluated 25 May 2004
Dynamics of an enzymatic substitution reaction in haloalkane dehalogenase.
Nam K, Prat-Resina X, …, Devi-Kesavan LS, Gao J
J Am Chem Soc
2004 Feb 11
126
(5):1369-76 [
abstract on PubMed
] [
related articles
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full text
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order article
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Selected by
| Arieh Warshel
Evaluated 23 Feb 2004
Metaphosphate in the active site of fructose-1,6-bisphosphatase.
Choe JY, Iancu CV, Fromm HJ, Honzatko RB
J Biol Chem
2003 May 2
278
(18):16015-20 [
abstract on PubMed
] [
related articles
] [
FREE full text
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Selected by
| Karen Allen / Arieh Warshel
Evaluated 20 Feb 2004
Barriers to Hydride Transfer in Wild Type and Mutant Dihydrofolate Reductase from E. coli.
Thorpe IF, Brooks CL
J Phys Chem B
2003
107
:14042-14051 [
full text
]
Selected by
| Arieh Warshel
Evaluated 22 Dec 2003
The near attack conformation approach to the study of the chorismate to prephenate reaction.
Hur S, Bruice TC
Proc Natl Acad Sci U S A
2003 Oct 14
100
(21):12015-20 [
abstract on PubMed
] [
related articles
] [
FREE full text
]
Selected by
| Ruma Banerjee / Arieh Warshel
Evaluated 31 Oct 2003
The first experimental test of the hypothesis that enzymes have evolved to enhance hydrogen tunneling.
Doll KM, Bender BR, Finke RG
J Am Chem Soc
2003 Sep 10
125
(36):10877-84 [
abstract on PubMed
] [
related articles
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full text
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order article
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Selected by
| Joan Broderick / Arieh Warshel / Wolfgang Buckel
Evaluated 2 Oct 2003
Theoretical modeling of enzyme catalytic power: analysis of "cratic" and electrostatic factors in catechol O-methyltransferase.
Roca M, Martí S, …, Bertrán J, Williams IH
J Am Chem Soc
2003 Jun 25
125
(25):7726-37 [
abstract on PubMed
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related articles
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full text
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order article
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Selected by
| Arieh Warshel
Evaluated 10 Sep 2003
The pentacovalent phosphorus intermediate of a phosphoryl transfer reaction.
Lahiri SD, Zhang G, Dunaway-Mariano D, Allen KN
Science
2003 Mar 28
299
(5615):2067-71 [
abstract on PubMed
] [
related articles
] [
FREE full text
]
Selected by
| Wolfgang Buckel / Arieh Warshel / Alfred Wittinghofer / Janet Morrow
Evaluated 22 Apr 2003
Selective stabilization of the chorismate mutase transition state by a positively charged hydrogen bond donor.
Kienhöfer A, Kast P, Hilvert D
J Am Chem Soc
2003 Mar 19
125
(11):3206-7 [
abstract on PubMed
] [
related articles
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full text
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order article
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Selected by
| Arieh Warshel / Benjamin Cravatt
Evaluated 4 Apr 2003
The catalytic power of ketosteroid isomerase investigated by computer simulation.
Feierberg I, Aqvist J
Biochemistry
2002 Dec 31
41
(52):15728-35 [
abstract on PubMed
] [
related articles
] [
order article
]
Selected by
| Arieh Warshel
Evaluated 16 Jan 2003
Role of the catalytic triad and oxyanion hole in acetylcholinesterase catalysis: an ab initio QM/MM study.
Zhang Y, Kua J, McCammon JA
J Am Chem Soc
2002 Sep 4
124
(35):10572-7 [
abstract on PubMed
] [
related articles
] [
order article
]
Selected by
| Arieh Warshel
Evaluated 11 Oct 2002
Electrostatic contributions to site specific DNA cleavage by EcoRV endonuclease.
Horton NC, Otey C, …, Ananthnarayan V, Perona JJ
Biochemistry
2002 Sep 3
41
(35):10754-63 [
abstract on PubMed
] [
related articles
] [
order article
]
Selected by
| Arieh Warshel
Evaluated 28 Aug 2002
Probing protein electrostatics with a synthetic fluorescent amino acid.
Cohen BE, McAnaney TB, …, Boxer SG, Jan LY
Science
2002 May 31
296
(5573):1700-3 [
abstract on PubMed
] [
related articles
] [
FREE full text
]
Selected by
| Deborah Leckband / Peter Qin / Yu-Li Wang / Volkhard Helms / Arieh Warshel / Mario Amzel / Ross Weatherman / Robert Kelley
Evaluated 20 Jun 2002
RanGAP mediates GTP hydrolysis without an arginine finger.
Seewald MJ, Körner C, Wittinghofer A, Vetter IR
Nature
2002 Feb 7
415
(6872):662-6 [
abstract on PubMed
] [
related articles
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full text
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order article
]
Selected by
| Janet Lindsley / Elena Conti / Arieh Warshel
Evaluated 27 Feb 2002
Site-bound water and the shortcomings of a less than perfect transition state analogue.
Snider MJ, Wolfenden R
Biochemistry
2001 Sep 25
40
(38):11364-71 [
abstract on PubMed
] [
related articles
] [
order article
]
Selected by
| John Ladbury / Arieh Warshel
Evaluated 18 Jan 2002
Ribozyme catalysis via orbital steering.
Scott WG
J Mol Biol
2001 Aug 31
311
(5):989-99 [
abstract on PubMed
] [
related articles
] [
full text
] [
order article
]
Selected by
| Thorsten Dieckmann / Arieh Warshel
Evaluated 21 Nov 2001
Role of enzyme-ribofuranosyl contacts in the ground state and transition state for orotidine 5'-phosphate decarboxylase: a role for substrate destabilization?
Miller BG, Butterfoss GL, Short SA, Wolfenden R
Biochemistry
2001 May 29
40
(21):6227-32 [
abstract on PubMed
] [
related articles
] [
order article
]
Selected by
| Arieh Warshel
Evaluated 4 Sep 2001
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