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Journal of Biomolecular Structure and Dynamics Volume 31, 2013 - Issue 11
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A novel and efficient ligand-based virtual screening approach using the HWZ scoring function and an enhanced shape-density model

Adel HamzaDepartment of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 789 South Limestone Street, Lexington, KY, 40536, USA.Correspondence[email protected]
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Ning-Ning WeiDepartment of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 789 South Limestone Street, Lexington, KY, 40536, USA.;State Key Laboratory of Fine Chemicals, School of Life Science and Biotechnology, Dalian University of Technology, No.2 Linggong Road, Ganjingzi District, Dalian, 116024, China.
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Ce HaoState Key Laboratory of Fine Chemicals, School of Life Science and Biotechnology, Dalian University of Technology, No.2 Linggong Road, Ganjingzi District, Dalian, 116024, China.
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Zhilong XiuState Key Laboratory of Fine Chemicals, School of Life Science and Biotechnology, Dalian University of Technology, No.2 Linggong Road, Ganjingzi District, Dalian, 116024, China.
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Chang-Guo ZhanDepartment of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 789 South Limestone Street, Lexington, KY, 40536, USA.Correspondence[email protected]
Pages 1236-1250 | Received 23 Jul 2012, Accepted 07 Sep 2012, Published online: 12 Nov 2012

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Thirupathi Dasari, Bhargavi Kondagari, Ramasree Dulapalli, Aboubakr Haredi Abdelmonsef, Thirupathi Mukkera, Lavanya Souda Padmarao, Vasavi Malkhed & Uma Vuruputuri. (2017) Design of novel lead molecules against RhoG protein as cancer target – a computational study. Journal of Biomolecular Structure and Dynamics 35:14, pages 3119-3139.
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Articles from other publishers (5)

Christopher A. Kalnmals, Zoltan L. Benko, Adel Hamza, Karla Bravo-Altamirano, Thomas L. Siddall, Moriah Zielinski, Hudson K. Takano, Dilpreet S. Riar, Norbert M. Satchivi, Joshua J. Roth & Jeffrey B. Church. (2023) A New Class of Diaryl Ether Herbicides: Structure–Activity Relationship Studies Enabled by a Rapid Scaffold Hopping Approach. Journal of Agricultural and Food Chemistry 71:47, pages 18171-18187.
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Jingbo Yang, Yiyang Cai, Kairui Zhao, Hongbo Xie & Xiujie Chen. (2022) Concepts and applications of chemical fingerprint for hit and lead screening. Drug Discovery Today 27:11, pages 103356.
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Ashutosh Kumar & Kam Y. J. Zhang. (2018) Advances in the Development of Shape Similarity Methods and Their Application in Drug Discovery. Frontiers in Chemistry 6.
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Adel Hamza, Jonathan M. Wagner, Ning-Ning Wei, Stefan Kwiatkowski, Chang-Guo Zhan, David S. Watt & Konstantin V. Korotkov. (2014) Application of the 4D Fingerprint Method with a Robust Scoring Function for Scaffold-Hopping and Drug Repurposing Strategies. Journal of Chemical Information and Modeling 54:10, pages 2834-2845.
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Adel Hamza, Jonathan M. Wagner, Timothy J. Evans, Mykhaylo S. Frasinyuk, Stefan Kwiatkowski, Chang-Guo Zhan, David S. Watt & Konstantin V. Korotkov. (2014) Novel Mycosin Protease MycP 1 Inhibitors Identified by Virtual Screening and 4D Fingerprints . Journal of Chemical Information and Modeling 54:4, pages 1166-1173.
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