Search Result "structure-based virtual screening"


Virtual Screening for Cholesterol Absorption Inhibitors

Journal: Medicinal Chemistry
Volume: 11 Issue: 1 Year: 2015 Page: 2-12
Author(s): Lidan Sun,Hai Qian,Wenlong Huang

Role of Open Source Tools and Resources in Virtual Screening for Drug Discovery

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 6 Year: 2015 Page: 528-543
Author(s): Muthukumarasamy Karthikeyan,Renu Vyas

LiSIs: An Online Scientific Workflow System for Virtual Screening

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 3 Year: 2015 Page: 281-295
Author(s): Christos C. Kannas,Ioanna Kalvari,George Lambrinidis,Christiana M. Neophytou,Christiana G. Savva,Ioannis Kirmitzoglou,Zinonas Antoniou,Kleo G. Achilleos,David Scherf,Chara A. Pitta,Christos A. Nicolaou,Emanuel Mikros,Vasilis J. Promponas,Clarissa Gerhauser,Rajendra G. Mehta,Andreas I. Constantinou,Constantinos S. Pattichis

ChemScreener: A Distributed Computing Tool for Scaffold based Virtual Screening

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 6 Year: 2015 Page: 544-561
Author(s): Muthukumarasamy Karthikeyan,Deepak Pandit,Renu Vyas

Pharmacophore and Docking Based Virtual Screening of Validated Mycobacterium tuberculosis Targets

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 7 Year: 2015 Page: 624-637
Author(s): Renu Vyas,Muthukumarasamy Karthikeyan,Ganesh Nainaru,Murugan Muthukrishnan

A Ligand-Based Virtual Screening Approach to Identify Small Molecules as hERG Channel Activators

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 3 Year: 2015 Page: 269-280
Author(s): Elisa Giacomini,Rosa Buonfiglio,Matteo Masetti,Yuhong Wang,Gea-Ny Tseng,Marinella Roberti,Maurizio Recanatini

Role of Chemical Reactivity and Transition State Modeling for Virtual Screening

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 7 Year: 2015 Page: 638-657
Author(s): Muthukumarasamy Karthikeyan,Renu Vyas,Sanjeev S. Tambe,Deepthi Radhamohan,Bhaskar D. Kulkarni

Identification of Potential Mps1 Inhibitors Through Multiple Pharmacophore- based Virtual Screening and Molecular Docking

Journal: Letters in Drug Design & Discovery
Volume: 12 Issue: 7 Year: 2015 Page: 558-573
Author(s): Xiaoli Li,Lu Zhou,Yahui Tian,Suwen Zhou

Discovery of New Potential Antimalarial Compounds Using Virtual Screening of ZINC Database

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 2 Year: 2015 Page: 227-234
Author(s): Jahan B. Ghasemi,Fereshteh Shiri,Somayeh Pirhadi,Zahra Heidari

In Silico Identification of Irreversible Cathepsin B Inhibitors as Anti- Cancer Agents: Virtual Screening, Covalent Docking Analysis and Molecular Dynamics Simulations

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 4 Year: 2015 Page: 399-410
Author(s): Mbatha Sbongile, Mahmoud E.S. Soliman

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