164 related articles for article (PubMed ID: 14632470)
1. A simple clustering technique to improve QSAR model selection and predictivity: application to a receptor independent 4D-QSAR analysis of cyclic urea derived inhibitors of HIV-1 protease.
Senese CL; Hopfinger AJ
J Chem Inf Comput Sci; 2003; 43(6):2180-93. PubMed ID: 14632470
[TBL] [Abstract][Full Text] [Related]
2. Receptor-independent 4D-QSAR analysis of a set of norstatine derived inhibitors of HIV-1 protease.
Senese CL; Hopfinger AJ
J Chem Inf Comput Sci; 2003; 43(4):1297-307. PubMed ID: 12870923
[TBL] [Abstract][Full Text] [Related]
3. Three-dimensional quantitative structure-activity relationship study on cyclic urea derivatives as HIV-1 protease inhibitors: application of comparative molecular field analysis.
Debnath AK
J Med Chem; 1999 Jan; 42(2):249-59. PubMed ID: 9925730
[TBL] [Abstract][Full Text] [Related]
4. Structure-based QSAR analysis of a set of 4-hydroxy-5,6-dihydropyrones as inhibitors of HIV-1 protease: an application of the receptor-dependent (RD) 4D-QSAR formalism.
Santos-Filho OA; Hopfinger AJ
J Chem Inf Model; 2006; 46(1):345-54. PubMed ID: 16426069
[TBL] [Abstract][Full Text] [Related]
5. Combinatorial design of nonsymmetrical cyclic urea inhibitors of aspartic protease of HIV-1.
Frecer V; Burello E; Miertus S
Bioorg Med Chem; 2005 Sep; 13(18):5492-501. PubMed ID: 16054372
[TBL] [Abstract][Full Text] [Related]
6. Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulations.
Durdagi S; Mavromoustakos T; Chronakis N; Papadopoulos MG
Bioorg Med Chem; 2008 Dec; 16(23):9957-74. PubMed ID: 18996019
[TBL] [Abstract][Full Text] [Related]
7. Modeling of activity of cyclic urea HIV-1 protease inhibitors using regularized-artificial neural networks.
Fernández M; Caballero J
Bioorg Med Chem; 2006 Jan; 14(1):280-94. PubMed ID: 16202604
[TBL] [Abstract][Full Text] [Related]
8. A mechanistic study of 3-aminoindazole cyclic urea HIV-1 protease inhibitors using comparative QSAR.
Garg R; Bhhatarai B
Bioorg Med Chem; 2004 Nov; 12(22):5819-31. PubMed ID: 15498658
[TBL] [Abstract][Full Text] [Related]
9. Treating chemical diversity in QSAR analysis: modeling diverse HIV-1 integrase inhibitors using 4D fingerprints.
Iyer M; Hopfinger AJ
J Chem Inf Model; 2007; 47(5):1945-60. PubMed ID: 17661457
[TBL] [Abstract][Full Text] [Related]
10. Evaluation of a neural networks QSAR method based on ligand representation using substituent descriptors. Application to HIV-1 protease inhibitors.
Milac AL; Avram S; Petrescu AJ
J Mol Graph Model; 2006 Sep; 25(1):37-45. PubMed ID: 16325439
[TBL] [Abstract][Full Text] [Related]
11. Quantitative structure-based design: formalism and application of receptor-dependent RD-4D-QSAR analysis to a set of glucose analogue inhibitors of glycogen phosphorylase.
Pan D; Tseng Y; Hopfinger AJ
J Chem Inf Comput Sci; 2003; 43(5):1591-607. PubMed ID: 14502494
[TBL] [Abstract][Full Text] [Related]
12. Cluster analysis and three-dimensional QSAR studies of HIV-1 integrase inhibitors.
Yuan H; Parrill A
J Mol Graph Model; 2005 Jan; 23(4):317-28. PubMed ID: 15670952
[TBL] [Abstract][Full Text] [Related]
13. 4D-QSAR analysis of a series of antifungal p450 inhibitors and 3D-pharmacophore comparisons as a function of alignment.
Liu J; Pan D; Tseng Y; Hopfinger AJ
J Chem Inf Comput Sci; 2003; 43(6):2170-9. PubMed ID: 14632469
[TBL] [Abstract][Full Text] [Related]
14. 4D-fingerprints, universal QSAR and QSPR descriptors.
Senese CL; Duca J; Pan D; Hopfinger AJ; Tseng YJ
J Chem Inf Comput Sci; 2004; 44(5):1526-39. PubMed ID: 15446810
[TBL] [Abstract][Full Text] [Related]
15. Integrating Multiple Receptor Conformation Docking and Multi Dimensional QSAR for Enhancing Accuracy of Binding Affinity Prediction.
Radhika V; Jaraf HA; Kanth SS; Vijjulatha M
Curr Comput Aided Drug Des; 2017; 13(2):127-142. PubMed ID: 28103770
[TBL] [Abstract][Full Text] [Related]
16. SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations.
Toropov AA; Toropova AP; Benfenati E; Leszczynska D; Leszczynski J
J Comput Chem; 2010 Jan; 31(2):381-92. PubMed ID: 19479738
[TBL] [Abstract][Full Text] [Related]
17. Comparative binding energy analysis of HIV-1 protease inhibitors: incorporation of solvent effects and validation as a powerful tool in receptor-based drug design.
Pérez C; Pastor M; Ortiz AR; Gago F
J Med Chem; 1998 Mar; 41(6):836-52. PubMed ID: 9526559
[TBL] [Abstract][Full Text] [Related]
18. 3D-QSAR studies on chromone derivatives as HIV-1 protease inhibitors: application of molecular field analysis.
Nunthanavanit P; Anthony NG; Johnston BF; Mackay SP; Ungwitayatorn J
Arch Pharm (Weinheim); 2008 Jun; 341(6):357-64. PubMed ID: 18442018
[TBL] [Abstract][Full Text] [Related]
19. Improved structure-activity relationship analysis of HIV-1 protease inhibitors using interaction kinetic data.
Shuman CF; Vrang L; Danielson UH
J Med Chem; 2004 Nov; 47(24):5953-61. PubMed ID: 15537350
[TBL] [Abstract][Full Text] [Related]
20. Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps.
Marrero-Ponce Y; Iyarreta-Veitía M; Montero-Torres A; Romero-Zaldivar C; Brandt CA; Avila PE; Kirchgatter K; Machado Y
J Chem Inf Model; 2005; 45(4):1082-100. PubMed ID: 16045304
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
