Search Result "LigandScout software"


Development and Validation of an In Silico P450 Profiler Based on Pharmacophore Models

Journal: Current Drug Discovery Technologies
Volume: 3 Issue: 1 Year: 2006 Page: 1-48
Author(s): Daniela Schuster, Christian Laggner, Theodora M. Steindl, Thierry Langer

Research Article

Docking Studies of Curcumin and Analogues with Various Phosphodiesterase 4 Subtypes

Journal: Current Drug Discovery Technologies
Volume: 17 Issue: 2 Year: 2020 Page: 248-260
Author(s): Yau Xin Yi,Anand Gaurav,Gabriel A. Akowuah

Receptor-Based Pharmacophore and Pharmacophore Key Descriptors for Virtual Screening and QSAR Modeling

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 3 Year: 2011 Page: 181-189
Author(s): Xialan Dong, Jerry O. Ebalunode, Sheng-Yong Yang, Weifan Zheng

Computational Tools for In Silico Fragment-Based Drug Design

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 17 Year: 2012 Page: 1935-1943
Author(s): Jeremie Mortier,Christin Rakers,Raphael Frederick,Gerhard Wolber

Approaches to Virtual Screening and Screening Library Selection

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 26 Year: 2013 Page: 4787-4796
Author(s): Scott A. Wildman

Research Article

Molecular Dynamic Simulation and 3d-pharmacophore Modeling of AlphaMangostin and Its Derivatives against Estrogen Alpha Receptor

Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 6 Year: 2024 Page: 1103-1119
Author(s): Fateen Izzah Haziqah Binti Parlan

Research Article

Studies on the EC50 of Natural Monoterpenes as Fungal Inhibitors with Quantitative Structure-Activity Relationships (QSARs)

Journal: The Natural Products Journal
Volume: 10 Issue: 1 Year: 2020 Page: 44-60
Author(s): Mohamed E.I. Badawy,Entsar I. Rabea,Samir A.M. Abdelgaleil

Molecular Shape Technologies in Drug Discovery: Methods and Applications

Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 6 Year: 2010 Page: 669-679
Author(s): Jerry O. Ebalunode, Weifan Zheng

Review Article

Recent Updates on Computer-aided Drug Discovery: Time for a Paradigm Shift

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 30 Year: 2017 Page: 3296-3307
Author(s): Talambedu Usha,Dhivya Shanmugarajan,Arvind Kumar Goyal,Chinaga Suresh Kumar,Sushil Kumar Middha

Review Article

Advancements in Docking and Molecular Dynamics Simulations Towards Ligand-receptor Interactions and Structure-function Relationships

Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 2 Year: 2018 Page: 1755-1768
Author(s): Ahmad Abu Turab Naqvi,Taj Mohammad,Gulam Mustafa Hasan,Md. Imtaiyaz Hassan

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