Current Computer-Aided Drug Design

Editor-in-Chief:

Subhash C. Basak
University of Minnesota Duluth
Duluth, MN
USA

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Volume 16 - Issue 1



Parsimony Principle and its Proper use/ Application in Computer-assisted Drug Design and QSAR promotion: free to download

Volume: 16   Issue: 1
Pp: 1-5
Subhash C. Basak and Marjan G. Vracko
DOI: 10.2174/157340991601200106122854



QSPR Models to Predict Thermodynamic Properties of Cycloalkanes Using Molecular Descriptors and GA-MLR Method promotion: free to download

Volume: 16   Issue: 1
Pp: 6-16
Daryoush Joudaki and Fatemeh Shafiei*
DOI: 10.2174/1573409915666190227230744



Theoretical Studies on the Selectivity Mechanisms of Glycogen Synthase Kinase 3β (GSK3β) with Pyrazine ATP-competitive Inhibitors by 3DQSAR, Molecular Docking, Molecular Dynamics Simulation and Free Energy Calculations promotion: free to download

Volume: 16   Issue: 1
Pp: 17-30
Jingyu Zhu*, Yuanqing Wu, Lei Xu and Jian Jin*
DOI: 10.2174/1573409915666190708102459



Effects of Hydroxyl Group on the Interaction of Carboxylated Flavonoid Derivatives with S. Cerevisiae α-Glucosidase promotion: free to download

Volume: 16   Issue: 1
Pp: 31-44
Huining Lu*, Yanjiao Qi*, Yaming Zhao and Nengzhi Jin
DOI: 10.2174/1573409914666181022142553



New Insights into the Binding Mechanism of Co-regulator BUD31 to AR AF2 Site: Structural Determination and Analysis of the Mutation Effect promotion: free to download

Volume: 16   Issue: 1
Pp: 45-53
Tianqing Song and Jiazhong Li*
DOI: 10.2174/1573409915666190502153307



De-novo Drug Design, Molecular Docking and In-Silico Molecular Prediction of AChEI Analogues through CADD Approaches as Anti-Alzheimer’s Agents promotion: free to download

Volume: 16   Issue: 1
Pp: 54-72
Surabhi Pandey* and B.K. Singh
DOI: 10.2174/1573409915666190301124210



Quality by Design Approach for Development and Characterisation of Solid Lipid Nanoparticles of Quetiapine Fumarate promotion: free to download

Volume: 16   Issue: 1
Pp: 73-91
Shweta Agarwal*, Rayasa S. Ramachandra Murthy, Sasidharan Leelakumari Harikumar and Rajeev Garg
DOI: 10.2174/1573409915666190722122827