✦ LIBER ✦

Suitability of GRIND-Based Principal Properties for the Description of Molecular Similarity and Ligand-Based Virtual Screening

✍ Scribed by Durán, Ángel; Zamora, Ismael; Pastor, Manuel

Book ID: 118162894
Publisher: American Chemical Society
Year: 2009
Tongue: English
Weight: 387 KB
Volume: 49
Category: Article
ISSN: 0095-2338
DOI: 10.1021/ci900228x

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Integrating Structure- and Ligand-Based

Integrating Structure- and Ligand-Based Virtual Screening: Comparison of Individual, Parallel, and Fused Molecular Docking and Similarity Search Calculations on Multiple Targets

✍ Lu Tan; Hanna Geppert; Mihiret T. Sisay; Michael Gütschow; Jürgen Bajorath 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 363 KB 👁 1 views

New Methods for Ligand-Based Virtual Scr

New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching

✍ Hert, Jérôme; Willett, Peter; Wilton, David J.; Acklin, Pierre; Azzaoui, Kamal; 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 114 KB

ChemInform Abstract: Receptor-Based Virt

ChemInform Abstract: Receptor-Based Virtual Ligand Screening for the Identification of Novel CDC25 Phosphatase Inhibitors.

✍ Bruno O. Villoutreix; et al. et al. 📂 Article 📅 2008 🏛 John Wiley and Sons ⚖ 15 KB 👁 1 views

## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable v

ChemInform Abstract: Comparison of Ligan

ChemInform Abstract: Comparison of Ligand-Based and Receptor-Based Virtual Screening of HIV Entry Inhibitors for the CXCR4 and CCR5 Receptors Using 3D Ligand Shape Matching and Ligand—Receptor Docking.

✍ violeta I. Perez-Nueno; David W. Ritchie; Obdulia Rabal; Rosalia Pascual; Jose I 📂 Article 📅 2008 🏛 John Wiley and Sons ⚖ 15 KB 👁 1 views

3D QSAR pharmacophore-based virtual scre

3D QSAR pharmacophore-based virtual screening and molecular docking studies for the discovery of potential PDK1 inhibitors

✍ Zhang, Wei; Zhou, Lu; Li, Zi-Cheng 📂 Article 📅 2012 🏛 Springer-Verlag 🌐 English ⚖ 970 KB

Ligand and structure-based models for th

Ligand and structure-based models for the prediction of ligand-receptor affinities and virtual screenings: Development and application to the β2-adrenergic receptor

✍ Santiago Vilar; Joel Karpiak; Stefano Costanzi 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 851 KB

## Abstract In this study, we evaluated the applicability of ligand‐based and structure‐based models to quantitative affinity predictions and virtual screenings for ligands of the β~2~‐adrenergic receptor, a G protein‐coupled receptor (GPCR). We also devised and evaluated a number of consensus mode