Search Result "surflex-dock"


Statistical Analysis, Optimization, and Prioritization of Virtual Screening Parameters for Zinc Enzymes Including the Anthrax Toxin Lethal Factor

Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 18 Year: 2014 Page: 2105-2114
Author(s): Kimberly M. Maize,Xia Zhang,Elizabeth Ambrose Amin

QSAR and Docking Studies on Different Series of Histone Deacetylase Inhibitors (HDACIs)

Journal: Letters in Drug Design & Discovery
Volume: 9 Issue: 4 Year: 2012 Page: 367-378
Author(s): Yuhong Xiang, Liang Zhang, Zhuoyong Zhang

Topomer CoMFA and Virtual Screening Studies of Azaindole Class Renin Inhibitors

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 17 Issue: 5 Year: 2014 Page: 458-472
Author(s): Yuhong Xiang,Jia Song,Zhuoyong Zhang

Research Article

Design-Based Peptidomimetic Ligand Discovery to Target HIV TAR RNA Using Comparative Analysis of Different Docking Methods

Journal: Current HIV Research
Volume: 14 Issue: 6 Year: 2016 Page: 476-483
Author(s): Junjie Fu,Amy Xia,Yao Dai,Xin Qi

Research Article

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

In silico Studies Toward the Discovery of Novel Type-II Inhibitors of TrkA: Pharmacophore-based 3D-QSAR Modeling, Database Screening and Molecular Docking

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 6 Year: 2016 Page: 526-538
Author(s): Yahui Tian,Lu Zhou,Xiaoli Li,Suwen Zhou,Rong Yong,Liangliang Zhong

Research Article

The Discovery of Antibacterial Natural Compound Based on Peptide Deformylase

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 21 Issue: 4 Year: 2018 Page: 292-297
Author(s): Li Liang,Qianqian Zhou,Zhixiang Hao,Fanfan Wang,Yasheng Zhu,Qisi Lin,Jian Gao

3D QSAR Pharmacophore, CoMFA and CoMSIA Based Design and Docking Studies on Phenyl Alkyl Ketones as Inhibitors of Phosphodiesterase 4

Journal: Medicinal Chemistry
Volume: 8 Issue: 5 Year: 2012 Page: 894-912
Author(s): Anand Gaurav,Ranjit Singh

Research Article

Drug Design, Synthesis and In Vitro Evaluation of Substituted Benzofurans as Hsp90 Inhibitors

Journal: Medicinal Chemistry
Volume: 14 Issue: 1 Year: 2018 Page: 44-52
Author(s): Sundeep Kadasi,Thadeu E.M.M. Costa,Neha Arukala,Mallika Toshakani,Chaitanya Duggineti,Sreekanth Thota,Sayan D. Gupta,Shiva Raj,Carmen Penido,Maria G. Henriques,Nulgumnalli M. Raghavendra

Research Article

Rational Identification of Hsp90 Inhibitors as Anticancer Lead Molecules by Structure Based Drug Designing Approach

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 20 Issue: 3 Year: 2020 Page: 369-385
Author(s): Sayan Dutta Gupta,Pappu S. Swapanthi,Deshetti Bhagya,Fernando Federicci,Gisela I. Mazaira,Mario D. Galigniana,Chavali V.S. Subrahmanyam,Naryanasamy L. Gowrishankar,Nulgumnalli M. Raghavendra

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