Search Result "Molecular field and similarity analyses"


Molecular Similarity and Property Similarity

Journal: Current Topics in Medicinal Chemistry
Volume: 4 Issue: 6 Year: 2004 Page: 589-600
Author(s): Frederique Barbosa, Dragos Horvath

Insight into the Structural Requirements of Narlaprevir-Type Inhibitors of NS3/NS4A Protease Based on HQSAR and Molecular Field Analyses

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 15 Issue: 6 Year: 2012 Page: 439-450
Author(s): Jingyu Zhu,Youyong Li,Huidong Yu,Liling Zhang,Xinliang Mao,Tingjun Hou

High Content Pharmacophores from Molecular Fields: A Biologically Relevant Method for Comparing and Understanding Ligands

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 3 Year: 2011 Page: 190-205
Author(s): Timothy J. Cheeseright, Mark D. Mackey, Robert A. Scoffin

Molecular Dynamics, Density Functional Theory, Pharmacophore Modeling, Molecular Interaction Fields and ADME/Tox Investigation of Novel Bioactive Compounds Interacting with CDK2 Surfaces

Journal: Current Physical Chemistry
Volume: 4 Issue: 1 Year: 2014 Page: 94-105
Author(s): Fernanda P. Ferreira,Wagner F. Couto,Vanessa Fontana,Carlton A. Taft,Carlos H.T.P. Da Silva

Interaction Models of a Series of Oxadiazole-Substituted α-Isopropoxy Phenylpropanoic Acids Against PPARα and PPARγ: Molecular Modeling and Comparative Molecular Similarity Indices Analysis Studies

Journal: Protein & Peptide Letters
Volume: 16 Issue: 2 Year: 2009 Page: 150-162
Author(s): Feng Cheng, Jianhua Shen, Xiaoying Xu, Xiaomin Luo, Kaixian Chen, Xu Shen, Hualiang Jiang

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

Semantic Similarities as Discriminative Features of Protein Complexes

Journal: Current Bioinformatics
Volume: 8 Issue: 3 Year: 2013 Page: 347-356
Author(s): Pietro Hiram Guzzi, Marianna Milano, Pierangelo Veltri, Mario Cannataro

Correlating Low-Similarity Peptide Sequences and Allergenic Epitopes

Journal: Current Pharmaceutical Design
Volume: 14 Issue: 3 Year: 2008 Page: 289-295
Author(s): D. Kanduc

Computational Analyses of Ancient Polyploidy

Journal: Current Bioinformatics
Volume: 1 Issue: 2 Year: 2006 Page: 131-146
Author(s): Kevin P. Byrne, Guillaume Blanc

Self-Organizing Molecular Field Analysis on Pyridazine Analogues as Protein Tyrosine Phosphatase 1B (PTP 1B) Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 7 Issue: 6 Year: 2010 Page: 395-401
Author(s): Suresh Thareja, Saurabh Aggarwal, Tilak Raj Bhardwaj, Manoj Kumar

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