Detalhe da pesquisa
1.
Bioorthogonal Tethering Enhances Drug Fragment Affinity for G Protein-Coupled Receptors in Live Cells.
J Am Chem Soc
; 145(20): 11173-11184, 2023 05 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-37116188
2.
Mutation of a kinase allosteric node uncouples dynamics linked to phosphotransfer.
Proc Natl Acad Sci U S A
; 114(6): E931-E940, 2017 02 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-28115705
3.
Decoding the Interactions Regulating the Active State Mechanics of Eukaryotic Protein Kinases.
PLoS Biol
; 14(11): e2000127, 2016 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-27902690
4.
Dynamic architecture of a protein kinase.
Proc Natl Acad Sci U S A
; 111(43): E4623-31, 2014 Oct 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-25319261
5.
Substrate and inhibitor-induced dimerization and cooperativity in caspase-1 but not caspase-3.
J Biol Chem
; 288(14): 9971-9981, 2013 Apr 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-23386603
6.
Ab initio modeling and experimental assessment of Janus Kinase 2 (JAK2) kinase-pseudokinase complex structure.
PLoS Comput Biol
; 9(4): e1003022, 2013 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-23592968
7.
Turning a protein kinase on or off from a single allosteric site via disulfide trapping.
Proc Natl Acad Sci U S A
; 108(15): 6056-61, 2011 Apr 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-21430264
8.
Reaching for high-hanging fruit in drug discovery at protein-protein interfaces.
Nature
; 450(7172): 1001-9, 2007 Dec 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-18075579
9.
Broadening the Scope of Binding Free Energy Calculations Using a Separated Topologies Approach.
J Chem Theory Comput
; 19(15): 5058-5076, 2023 Aug 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37487138
10.
Conformational equilibrium of N-myristoylated cAMP-dependent protein kinase A by molecular dynamics simulations.
Biochemistry
; 51(51): 10186-96, 2012 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-23205665
11.
Modeling conformational ensembles of slow functional motions in Pin1-WW.
PLoS Comput Biol
; 6(12): e1001015, 2010 Dec 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-21152000
12.
Cosolvent-Enhanced Sampling and Unbiased Identification of Cryptic Pockets Suitable for Structure-Based Drug Design.
J Chem Theory Comput
; 15(5): 3331-3343, 2019 May 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-30998331
13.
Ensemble- and Rigidity Theory-Based Perturbation Approach To Analyze Dynamic Allostery.
J Chem Theory Comput
; 13(12): 6343-6357, 2017 Dec 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-29112408
14.
A dynamic hydrophobic core orchestrates allostery in protein kinases.
Sci Adv
; 3(4): e1600663, 2017 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-28435869
15.
Fidelity of seryl-tRNA synthetase to binding of natural amino acids from HierDock first principles computations.
Protein Eng Des Sel
; 19(5): 195-203, 2006 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-16517553
16.
Discovery of Novel 15-Lipoxygenase Activators To Shift the Human Arachidonic Acid Metabolic Network toward Inflammation Resolution.
J Med Chem
; 59(9): 4202-9, 2016 05 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-26290290
17.
A new coarse-grained model for E. coli cytoplasm: accurate calculation of the diffusion coefficient of proteins and observation of anomalous diffusion.
PLoS One
; 9(9): e106466, 2014.
Artigo
em Inglês
| MEDLINE | ID: mdl-25180859
18.
Synchronous opening and closing motions are essential for cAMP-dependent protein kinase A signaling.
Structure
; 22(12): 1735-1743, 2014 Dec 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-25458836
19.
The role of tyrosine sulfation in the dimerization of the CXCR4:SDF-1 complex.
Protein Sci
; 22(8): 1025-36, 2013 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-23740770
20.
Hydrogen bond strengths in phosphorylated and sulfated amino acid residues.
PLoS One
; 8(3): e57804, 2013.
Artigo
em Inglês
| MEDLINE | ID: mdl-23472106