Detalhe da pesquisa
1.
Functional and structural characterization of Hyp730, a highly conserved and dormancy-specific hypothetical membrane protein.
Microbiologyopen
; 10(1): e1154, 2021 01.
Artigo
Inglês
| MEDLINE | ID: mdl-33650800
2.
A novel structure-based multimode QSAR method affords predictive models for phosphodiesterase inhibitors.
J Chem Inf Model
; 50(2): 240-50, 2010 Feb 22.
Artigo
Inglês
| MEDLINE | ID: mdl-20095527
3.
Screening of Focused Compound Library Targeting Liver X Receptors in Pancreatic Cancer Identified Ligands with Inverse Agonist and Degrader Activity.
ACS Chem Biol
; 15(11): 2916-2928, 2020 11 20.
Artigo
Inglês
| MEDLINE | ID: mdl-33074669
4.
Computational insights into the interaction of the anthrax lethal factor with the N-terminal region of its substrates.
Proteins
; 75(2): 323-35, 2009 May 01.
Artigo
Inglês
| MEDLINE | ID: mdl-18831046
5.
Structure-based shape pharmacophore modeling for the discovery of novel anesthetic compounds.
Bioorg Med Chem
; 17(14): 5133-8, 2009 Jul 15.
Artigo
Inglês
| MEDLINE | ID: mdl-19520579
6.
Insights into the substrate binding specificity of quorum-quenching acylase PvdQ.
J Mol Graph Model
; 88: 104-120, 2019 05.
Artigo
Inglês
| MEDLINE | ID: mdl-30703686
7.
A single-residue mutation destabilizes Vibrio harveyi flavin reductase FRP dimer.
Arch Biochem Biophys
; 472(1): 51-7, 2008 Apr 01.
Artigo
Inglês
| MEDLINE | ID: mdl-18294448
8.
Informatics approach to the rational design of siRNA libraries.
Methods Mol Biol
; 672: 341-58, 2011.
Artigo
Inglês
| MEDLINE | ID: mdl-20838976
9.
Application of QSAR and shape pharmacophore modeling approaches for targeted chemical library design.
Methods Mol Biol
; 685: 111-33, 2011.
Artigo
Inglês
| MEDLINE | ID: mdl-20981521
10.
Receptor-based pharmacophore and pharmacophore key descriptors for virtual screening and QSAR modeling.
Curr Comput Aided Drug Des
; 7(3): 181-9, 2011 Sep 01.
Artigo
Inglês
| MEDLINE | ID: mdl-21726192
11.
Cheminformatics Approach to Gene Silencing: Z Descriptors of Nucleotides and SVM Regression Afford Predictive Models for siRNA Potency.
Mol Inform
; 29(12): 871-81, 2010 Dec 17.
Artigo
Inglês
| MEDLINE | ID: mdl-27464351
12.
Molecular shape technologies in drug discovery: methods and applications.
Curr Top Med Chem
; 10(6): 669-79, 2010.
Artigo
Inglês
| MEDLINE | ID: mdl-20337591
13.
Unconventional 2D shape similarity method affords comparable enrichment as a 3D shape method in virtual screening experiments.
J Chem Inf Model
; 49(6): 1313-20, 2009 Jun.
Artigo
Inglês
| MEDLINE | ID: mdl-19480404
14.
Development of improved models for phosphodiesterase-4 inhibitors with a multi-conformational structure-based QSAR method.
Curr Chem Genomics
; 3: 54-61, 2009 Dec 31.
Artigo
Inglês
| MEDLINE | ID: mdl-20161837
15.
Novel approach to structure-based pharmacophore search using computational geometry and shape matching techniques.
J Chem Inf Model
; 48(4): 889-901, 2008 Apr.
Artigo
Inglês
| MEDLINE | ID: mdl-18396858
16.
Hybrid quantum mechanical/molecular mechanical molecular dynamics simulations of HIV-1 integrase/inhibitor complexes.
Biophys J
; 93(10): 3613-26, 2007 Nov 15.
Artigo
Inglês
| MEDLINE | ID: mdl-17693479
17.
Computed pore potentials of the nicotinic acetylcholine receptor.
Biophys J
; 91(4): 1325-35, 2006 Aug 15.
Artigo
Inglês
| MEDLINE | ID: mdl-16751248
18.
Electrostatic steering at acetylcholine binding sites.
Biophys J
; 91(4): 1302-14, 2006 Aug 15.
Artigo
Inglês
| MEDLINE | ID: mdl-16751247
19.
The 1.9 A crystal structure of alanine racemase from Mycobacterium tuberculosis contains a conserved entryway into the active site.
Biochemistry
; 44(5): 1471-81, 2005 Feb 08.
Artigo
Inglês
| MEDLINE | ID: mdl-15683232