Search Result "molecular docking"


Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 2 Year: 2011 Page: 146-157
Author(s): Xuan-Yu Meng, Hong-Xing Zhang, Mihaly Mezei, Meng Cui

Bio-Inspired Algorithms Applied to Molecular Docking Simulations

Journal: Current Medicinal Chemistry
Volume: 18 Issue: 9 Year: 2011 Page: 1339-1352
Author(s): G. Heberle, W. F. de Azevedo

Molecular Mapping and Docking Interactions for Selective Anti-Fertility Potency of Estrogen Analogs

Journal: Letters in Drug Design & Discovery
Volume: 8 Issue: 1 Year: 2011 Page: 996-1003
Author(s): Ria Pal, Md Ataul Islam, Tabassum Hossain, Achintya Saha

Homology Models in Docking and High-Throughput Docking

Journal: Current Topics in Medicinal Chemistry
Volume: 11 Issue: 1 Year: 2011 Page: 1528-1534
Author(s): Claudio N. Cavasotto

Molecular Modeling Used to Evaluate CYP2C9-Dependent Metabolism: Homology Modeling, Molecular Dynamics and Docking Simulations

Journal: Current Drug Metabolism
Volume: 12 Issue: 6 Year: 2011 Page: 533-548
Author(s): Jessica E. Mendieta-Wejebe, Jose Correa-Basurto, Erika M. Garcia-Segovia, Gisela Ceballos-Cancino, Martha C. Rosales-Hernandez

Selective Cholinesterase Inhibitors from Buxus sempervirens L. and their Molecular Docking Studies

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 4 Year: 2011 Page: 276-286
Author(s): Ilkay E. Orhan, Mahmud T.H. Khan, Sinem A. Erdem, Murat Kartal, Bilge Sener

Docking and Molecular Dynamics Simulations of Peroxisome Proliferator Activated Receptors Interacting with Pan Agonist Sodelglitazar

Journal: Protein & Peptide Letters
Volume: 18 Issue: 1 Year: 2011 Page: 1021-1027
Author(s): Xu-Yuan Liu, Run-Ling Wang, Wei-Ren Xu, Li-Da Tang, Shu-Qing Wang, Kuo-Chen Chou

CoMFA and CoMSIA Analyses of Highly Selective Pipecolic Acid Based TNF-α Converting Enzyme (TACE) Inhibitors Using Docked Conformations for Molecular Alignment

Journal: Letters in Drug Design & Discovery
Volume: 8 Issue: 5 Year: 2011 Page: 430-439
Author(s): Malkeet Singh Bahia, Sukhvir Chand, Shravan Kumar Gunda, Shwetha Reddy Gade, Saikh Mahmood, Om Silakari

3D-QSAR and Docking Studies of 4-morpholinopyrrolopyrimidine Derivatives as Potent mTOR Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 8 Issue: 4 Year: 2011 Page: 339-354
Author(s): Shao-Teng Wang, Yong Ai, Chu Tang, Fa-Jun Song, Ping-Hua Sun

Support Vector Machine Based Prediction of P. falciparum Proteasome Inhibitors and Development of Focused Library by Molecular Docking

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 14 Issue: 1 Year: 2011 Page: 898-907
Author(s): Sangeetha Subramaniam, Monica Mehrotra, Dinesh Gupta

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