Search Result "Gasteiger-Huckel"
3D-QSAR Approaches in Drug Design: Perspectives to Generate Reliable CoMFA Models
Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 2 Year: 2014 Page: 148-159
Author(s): Cleber Camilo Melo-Filho,Rodolpho Campos Braga,Carolina Horta Andrade
3D-QSAR Study on a Series of Bcl-2 Protein Inhibitors Using Comparative Molecular Field Analysis
Journal: Protein & Peptide Letters
Volume: 18 Issue: 5 Year: 2011 Page: 440-449
Author(s): Xuben Hou, Jintong Du, Hao Fang, Minyong Li
Insight into the Structural Requirements of Narlaprevir-Type Inhibitors of NS3/NS4A Protease Based on HQSAR and Molecular Field Analyses
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 15 Issue: 6 Year: 2012 Page: 439-450
Author(s): Jingyu Zhu,Youyong Li,Huidong Yu,Liling Zhang,Xinliang Mao,Tingjun Hou
How to Generate Reliable and Predictive CoMFA Models
Journal: Current Medicinal Chemistry
Volume: 18 Issue: 6 Year: 2011 Page: 923-930
Author(s): Lei Zhang, Keng-Chang Tsai, Lupei Du, Hao Fang, Minyong Li, Wenfang Xu
QSAR and Docking Studies of DATA Analogues as HIV-1 Reverse Transcriptase Inhibitors
Journal: Letters in Drug Design & Discovery
Volume: 16 Issue: 2 Year: 2019 Page: 153-159
Author(s): Jianbo Tong,Shan Lei,Pei Zhan,Shangshang Qin,Yang Wang
Computer-aided Drug Design Applied to Parkinson Targets
Journal: Current Neuropharmacology
Volume: 16 Issue: 6 Year: 2018 Page: 865-880
Author(s): Hamilton M. Ishiki,Jose Maria Barbosa Filho,Marcelo S. da Silva,Marcus T. Scotti,Luciana Scotti
3D-QSAR and Molecular Docking Studies of Pyrazole Derivatives as Inhibitors of Enoyl Acyl Carrier Protein Reductase from Mycobacterium tuberculosis
Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 4 Year: 2017 Page: 414-433
Author(s): Sheshagiri R. Dixit,Shrinivas D. Joshi,V. H. Kulkarni,Tejraj M. Aminabhavi
Molecular Docking Studies of Some Novel Antidepressant 5-Substituted Phenyl-3-(Thiophen-2-yl)-4, 5-Dihydro-1h-Pyrazole-1-Carboxamides Against Monoamine Oxidase Isoforms
Journal: Central Nervous System Agents in Medicinal Chemistry
Volume: 16 Issue: 2 Year: 2016 Page: 75-80
Author(s): Bijo Mathew,Jerad Suresh,Sockalingam Anbazhagan,Sanal Dev
Computational Insights into the Inhibition of Influenza Viruses by Rupestonic Acid Derivatives: Pharmacophore Modeling, 3D-QSAR, CoMFA and COMSIA Studies
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 1 Year: 2015 Page: 63-74
Author(s): Karthikeyan Muthusamy,Palani Kirubakaran,Gopinath Krishnasamy,Raja Rajeshwari Thanashankar
Molecular Modeling Study on Diazine Indole Acetic Acid Derivatives for CRTH2 Inhibitory Activity
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 6 Year: 2016 Page: 444-460
Author(s): Sathya Babu,Mottadi Rupa,Santhosh Kumar Nagarajan,Honglae Sohn,Thirumurthy Madhavan