Detalhe da pesquisa
1.
Identification of histone deacetylase inhibitors with (arylidene)aminoxy scaffold active in uveal melanoma cell lines.
J Enzyme Inhib Med Chem
; 36(1): 34-47, 2021 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-33100043
2.
Structural insights of SmKDAC8 inhibitors: Targeting Schistosoma epigenetics through a combined structure-based 3D QSAR, in vitro and synthesis strategy.
Bioorg Med Chem
; 25(7): 2105-2132, 2017 04 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-28259528
3.
Limiting Assumptions in the Design of Peptidomimetics.
Drug Dev Res
; 78(6): 245-267, 2017 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-28875546
4.
An Automated Strategy for Binding-Pose Selection and Docking Assessment in Structure-Based Drug Design.
J Chem Inf Model
; 56(1): 54-72, 2016 Jan 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-26682916
5.
Helix stability of oligoglycine, oligoalanine, and oligo-ß-alanine dodecamers reflected by hydrogen-bond persistence.
Proteins
; 82(11): 3043-61, 2014 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-25116421
6.
Limiting assumptions in molecular modeling: electrostatics.
J Comput Aided Mol Des
; 27(2): 107-14, 2013 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-23354627
7.
Molecular dynamics of ß-hairpin models of epigenetic recognition motifs.
J Am Chem Soc
; 134(38): 15970-8, 2012 Sep 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-22934656
8.
Histone deacetylase inhibitors: structure-based modeling and isoform-selectivity prediction.
J Chem Inf Model
; 52(8): 2215-35, 2012 Aug 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-22762501
9.
Limiting assumptions in structure-based design: binding entropy.
J Comput Aided Mol Des
; 26(1): 3-8, 2012 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-22212342
10.
Comprehensive model of wild-type and mutant HIV-1 reverse transciptases.
J Comput Aided Mol Des
; 26(8): 907-19, 2012 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-22833004
11.
Simplified modeling approach suggests structural mechanisms for constitutive activation of the C5a receptor.
Proteins
; 79(3): 787-802, 2011 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-21287612
12.
A crowdsourcing evaluation of the NIH chemical probes.
Nat Chem Biol
; 5(7): 441-7, 2009 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-19536101
13.
PHOENIX: a scoring function for affinity prediction derived using high-resolution crystal structures and calorimetry measurements.
J Chem Inf Model
; 51(2): 214-28, 2011 Feb 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-21214225
14.
Electron paramagnetic resonance studies of functionally active, nitroxide spin-labeled peptide analogues of the C-terminus of a G-protein alpha subunit.
Biochemistry
; 49(32): 6877-86, 2010 Aug 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-20695526
15.
Modeling the possible conformations of the extracellular loops in G-protein-coupled receptors.
Proteins
; 78(2): 271-85, 2010 Feb 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-19731375
16.
SKATE: a docking program that decouples systematic sampling from scoring.
J Comput Chem
; 31(14): 2540-54, 2010 Nov 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-20740553
17.
Synthesis of the phenylpyridal scaffold as a helical peptide mimetic.
Chemistry
; 16(28): 8439-45, 2010 Jul 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-20564292
18.
A second look at mini-protein stability: analysis of FSD-1 using circular dichroism, differential scanning calorimetry, and simulations.
Biophys J
; 97(10): 2803-10, 2009 Nov 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-19917235
19.
A virtual library of constrained cyclic tetrapeptides that mimics all four side-chain orientations for over half the reverse turns in the protein data bank.
J Comput Aided Mol Des
; 23(2): 87-95, 2009 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-18797997
20.
Difference between restoring and predicting 3D structures of the loops in G-protein-coupled receptors by molecular modeling.
Proc Natl Acad Sci U S A
; 108(30): E341; author reply E342, 2011 Jul 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-21724986