Search Result "Surflex-sim"


3D QSAR Pharmacophore, CoMFA and CoMSIA Based Design and Docking Studies on Phenyl Alkyl Ketones as Inhibitors of Phosphodiesterase 4

Journal: Medicinal Chemistry
Volume: 8 Issue: 5 Year: 2012 Page: 894-912
Author(s): Anand Gaurav,Ranjit Singh

3D-QSAR Approaches in Drug Design: Perspectives to Generate Reliable CoMFA Models

Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 2 Year: 2014 Page: 148-159
Author(s): Cleber Camilo Melo-Filho,Rodolpho Campos Braga,Carolina Horta Andrade

Identifying the Structural Features of Pyrazolo[4,3-c]Quinoline-3-ones as Inhibitors of Phosphodiesterase 4: An Exploratory CoMFA and CoMSIA Study

Journal: Current Enzyme Inhibition
Volume: 9 Issue: 2 Year: 2013 Page: 106-116
Author(s): Anand Gaurav, Vertika Gautam

Exploring Novel Target Space: A Need to Partner High Throughput Docking and Ligand-Based Similarity Searches?

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 1 Year: 2009 Page: 984-999
Author(s): Kumaran Shanmugasundaram, Alan C. Rigby

Scope and Limitation of Ligand Docking: Methods, Scoring Functions and Protein Targets

Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 3 Year: 2005 Page: 275-306
Author(s): L. David, P. Aadal Nielsen, M. Hedstrom, B. Norden

Rational Drug Design: The Search for Ras Protein Hydrolysis Intermediate Conformation Inhibitors with Both Affinity and Specificity

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 12 Year: 2013 Page: 2246-2258
Author(s): Xiliang Zheng,Zuojia Liu,Dan Li,Erkang Wang,Jin Wang

3D-QSAR and Molecular Docking Studies of Flavonoid Derivatives as Potent Acetylcholinesterase Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 12 Issue: 10 Year: 2015 Page: 837-843
Author(s): An Zhou,Zeyu Wu,Ailing Hui,Bin Wang,Xianchun Duan,Haixiang Wang,Jian Pan

Cheminformatics in Anti-Infective Agents Discovery

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 7 Issue: 2 Year: 2007 Page: 181-189
Author(s): S. Sardari, M. Dezfulian

Combined Virtual Screening Strategies

Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 1 Year: 2009 Page: 23-37
Author(s): Alan Talevi, Luciana Gavernet, Luis E. Bruno-Blanch

Review Article

Current Computational Methods for Protein-peptide ComplexStructure Prediction

Journal: Current Medicinal Chemistry
Volume: 31 Issue: 26 Year: 2024 Page: 4058-4078
Author(s):

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