Detalhe da pesquisa
1.
Trapping the dynamic acyl carrier protein in fatty acid biosynthesis.
Nature
; 505(7483): 427-31, 2014 Jan 16.
Artigo
Inglês
| MEDLINE | ID: mdl-24362570
2.
Accurate Prediction of Amide Exchange in the Fast Limit Reveals Thrombin Allostery.
Biophys J
; 116(1): 49-56, 2019 01 08.
Artigo
Inglês
| MEDLINE | ID: mdl-30558884
3.
Dynamic Consequences of Mutation of Tryptophan 215 in Thrombin.
Biochemistry
; 57(18): 2694-2703, 2018 05 08.
Artigo
Inglês
| MEDLINE | ID: mdl-29634247
4.
Allosteric networks in thrombin distinguish procoagulant vs. anticoagulant activities.
Proc Natl Acad Sci U S A
; 109(52): 21216-22, 2012 Dec 26.
Artigo
Inglês
| MEDLINE | ID: mdl-23197839
5.
Disease-associated mutations disrupt functionally important regions of intrinsic protein disorder.
PLoS Comput Biol
; 8(10): e1002709, 2012.
Artigo
Inglês
| MEDLINE | ID: mdl-23055912
6.
The dynamic structure of thrombin in solution.
Biophys J
; 103(1): 79-88, 2012 Jul 03.
Artigo
Inglês
| MEDLINE | ID: mdl-22828334
7.
Studying functional dynamics in bio-molecules using accelerated molecular dynamics.
Phys Chem Chem Phys
; 13(45): 20053-65, 2011 Dec 07.
Artigo
Inglês
| MEDLINE | ID: mdl-22015376
8.
Accelerating chemical reactions: exploring reactive free-energy surfaces using accelerated ab initio molecular dynamics.
J Chem Phys
; 134(17): 174107, 2011 May 07.
Artigo
Inglês
| MEDLINE | ID: mdl-21548673
9.
Enhanced conformational space sampling improves the prediction of chemical shifts in proteins.
J Am Chem Soc
; 132(4): 1220-1, 2010 Feb 03.
Artigo
Inglês
| MEDLINE | ID: mdl-20063881
10.
Functional dynamics of the folded ankyrin repeats of I kappa B alpha revealed by nuclear magnetic resonance.
Biochemistry
; 48(33): 8023-31, 2009 Aug 25.
Artigo
Inglês
| MEDLINE | ID: mdl-19591507
11.
Toward a unified representation of protein structural dynamics in solution.
J Am Chem Soc
; 131(46): 16968-75, 2009 Nov 25.
Artigo
Inglês
| MEDLINE | ID: mdl-19919148
12.
Mechanism of glycan receptor recognition and specificity switch for avian, swine, and human adapted influenza virus hemagglutinins: a molecular dynamics perspective.
J Am Chem Soc
; 131(47): 17430-42, 2009 Dec 02.
Artigo
Inglês
| MEDLINE | ID: mdl-19891427
13.
Structural dynamics of protein backbone phi angles: extended molecular dynamics simulations versus experimental (3) J scalar couplings.
J Biomol NMR
; 45(1-2): 17-21, 2009 Sep.
Artigo
Inglês
| MEDLINE | ID: mdl-19629714
14.
Structural biology by NMR: structure, dynamics, and interactions.
PLoS Comput Biol
; 4(9): e1000168, 2008 Sep 26.
Artigo
Inglês
| MEDLINE | ID: mdl-18818721
15.
Characterization of protein dynamics from residual dipolar couplings using the three dimensional Gaussian axial fluctuation model.
Proteins
; 71(1): 353-63, 2008 Apr.
Artigo
Inglês
| MEDLINE | ID: mdl-17957769
16.
Multi-timescale conformational dynamics of the SH3 domain of CD2-associated protein using NMR spectroscopy and accelerated molecular dynamics.
Angew Chem Int Ed Engl
; 51(25): 6103-6, 2012 Jun 18.
Artigo
Inglês
| MEDLINE | ID: mdl-22565613
17.
NMR reveals a dynamic allosteric pathway in thrombin.
Sci Rep
; 7: 39575, 2017 01 06.
Artigo
Inglês
| MEDLINE | ID: mdl-28059082
18.
Correlated motions and residual frustration in thrombin.
J Phys Chem B
; 117(42): 12857-63, 2013 Oct 24.
Artigo
Inglês
| MEDLINE | ID: mdl-23621631
19.
Exploring the Photophysical Properties of Molecular Systems Using Excited State Accelerated ab Initio Molecular Dynamics.
J Chem Theory Comput
; 8(8): 2752-2761, 2012 Aug 14.
Artigo
Inglês
| MEDLINE | ID: mdl-22904696
20.
On the Use of Accelerated Molecular Dynamics to Enhance Configurational Sampling in Ab Initio Simulations.
J Chem Theory Comput
; 7(4): 890-897, 2011 Apr 12.
Artigo
Inglês
| MEDLINE | ID: mdl-21494425