Detalhe da pesquisa
1.
New active leads for tuberculosis booster drugs by structure-based drug discovery.
Org Biomol Chem
; 15(48): 10245-10255, 2017 Dec 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-29182187
2.
Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J Med Chem
; 67(6): 4655-4675, 2024 Mar 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-38462716
3.
Structural and docking studies of potent ethionamide boosters.
Acta Crystallogr C
; 69(Pt 11): 1243-50, 2013 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-24192167
4.
Validating and understanding ring conformations using small molecule crystallographic data.
J Chem Inf Model
; 52(4): 956-62, 2012 Apr 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-22372622
5.
The hydrogen bond environments of 1H-tetrazole and tetrazolate rings: the structural basis for tetrazole-carboxylic acid bioisosterism.
J Chem Inf Model
; 52(3): 857-66, 2012 Mar 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-22303876
6.
Potential and limitations of ensemble docking.
J Chem Inf Model
; 52(5): 1262-74, 2012 May 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-22482774
7.
Pose prediction and virtual screening performance of GOLD scoring functions in a standardized test.
J Comput Aided Mol Des
; 26(6): 737-48, 2012 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-22371207
8.
The Good, the Bad, and the Twisted Revisited: An Analysis of Ligand Geometry in Highly Resolved Protein-Ligand X-ray Structures.
J Med Chem
; 64(11): 7533-7543, 2021 06 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-34060310
9.
Investigation of the terminal P4 domain in a series of D-phenylglycinamide-based factor Xa inhibitors.
Bioorg Med Chem Lett
; 17(24): 6910-3, 2007 Dec 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-17976987
10.
PRO_SELECT: combining structure-based drug design and array-based chemistry for rapid lead discovery. 2. The development of a series of highly potent and selective factor Xa inhibitors.
J Med Chem
; 45(6): 1221-32, 2002 Mar 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-11881991
11.
Testing assumptions and hypotheses for rescoring success in protein-ligand docking.
J Chem Inf Model
; 49(8): 1871-8, 2009 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-19645429
12.
Evaluating docking programs: keeping the playing field level.
J Comput Aided Mol Des
; 22(3-4): 229-38, 2008.
Artigo
em Inglês
| MEDLINE | ID: mdl-18196461
13.
A four component coupling strategy for the synthesis of D-phenylglycinamide-derived non-covalent factor Xa inhibitors.
Bioorg Med Chem Lett
; 13(14): 2255-9, 2003 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-12824013