Search Result "compound prioritization"


Research Article

In Silico Prioritization, Synthesis and In Vitro Evaluation of Tembamide Analogs for Anti-HIV Activity

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 1 Year: 2017 Page: 1455-1464
Author(s): Shiv Gupta, Sanjay Kumar, Nisha Jariwala, Deepali Bhadane, Kamlesh Kumar Bhutani, Smita Kulkarni, Inder Pal Singh

Research Article

Inferring Alcoholism SNPs and Regulatory Chemical Compounds Based on Ensemble Bayesian Network

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 20 Issue: 2 Year: 2017 Page: 107-115
Author(s): Huan Chen,Jiatong Sun,Hong Jiang,Xianyue Wang,Lingxiang Wu,Wei Wu,Qh Wang

Review Article

Computational Screening and Design for Compounds that Disrupt Protein-protein Interactions

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2703-2714
Author(s): David K. Johnson,John Karanicolas

Review Article

Prediction of Chemical Multi-target Profiles and Adverse Outcomes with Systems Toxicology

Journal: Current Medicinal Chemistry
Volume: 24 Issue: 16 Year: 2017 Page: 1705-1720
Author(s): Henri Wathieu,Abiola Ojo,Sivanesan Dakshanamurthy

Research Article

Chemoinformatics Profiling of the Chromone Nucleus as a MAO-B/A2AAR Dual Binding Scaffold

Journal: Current Neuropharmacology
Volume: 15 Issue: 8 Year: 2017 Page: 1117-1135
Author(s): Maykel Cruz-Monteagudo,Fernanda Borges,M.Natalia D. S. Cordeiro,Aliuska Morales Helguera,Eduardo Tejera,Cesar Paz-y-Mino,Aminael Sanchez-Rodriguez,Yunier Perera-Sardina,Yunierkis Perez-Castillo

Research Article

Machine Learning and Molecular Dynamics Based Insights into Mode of Actions of Insulin Degrading Enzyme Modulators

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 20 Issue: 4 Year: 2017 Page: 279-291
Author(s): Salma Jamal,Sukriti Goyal,Asheesh Shanker,Abhinav Grover

Review Article open access plus

A Systematic Analysis of Physicochemical and ADME Properties of All Small Molecule Kinase Inhibitors Approved by US FDA from January 2001 to October 2015

Journal: Current Medicinal Chemistry
Volume: 24 Issue: 29 Year: 2017 Page: 3159-3184
Author(s): Zhihong O`Brien,Mehran F. Moghaddam

Review Article

From Protein Structure to Small-Molecules: Recent Advances and Applications to Fragment-Based Drug Discovery

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 20 Year: 2017 Page: 2260-2270
Author(s): Leonardo G. Ferreira,Adriano D. Andricopulo

Review Article

Molecular Docking and Drug Discovery in β-Adrenergic Receptors

Journal: Current Medicinal Chemistry
Volume: 24 Issue: 39 Year: 2017 Page: 4340-4359
Author(s): Santiago Vilar,Eduardo Sobarzo-Sanchez,Lourdes Santana,Eugenio Uriarte

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