Search Result "topological descriptors"


Exploring the stability of dimers through protein structure topology

Journal: Current Protein & Peptide Science
Volume: 17 Issue: 1 Year: 2016 Page: 30-36
Author(s): Luisa Di Paola,Giampiero Mei,Almerinda Di Venere,Alessandro Giuliani

Review Article

A Short Review of the Generation of Molecular Descriptors and Their Applications in Quantitative Structure Property/Activity Relationships

Journal: Current Computer-Aided Drug Design
Volume: 12 Issue: 3 Year: 2016 Page: 181-205
Author(s): Sagarika Sahoo,Chandana Adhikari,Minati Kuanar,Bijay K. Mishra

Analysis of A Drug Target-based Classification System using Molecular Descriptors

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 2 Year: 2016 Page: 129-135
Author(s): Jing Lu,Pin Zhang,Yi Bi,Xiaomin Luo

Topological Analyses of Protein-Ligand Binding: a Network Approach

Journal: Current Protein & Peptide Science
Volume: 17 Issue: 1 Year: 2016 Page: 37-40
Author(s): Stefano Costanzi

Peptide Drugs QSAR Modeling Based on a New Descriptor of Amino Acids- SVGT

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 3 Year: 2016 Page: 262-267
Author(s): Jianbo Tong,Lingxiao Li,Shuling Liu,Jia Chang

Relevant Physicochemical Descriptors of “Soft Nanomedicines” to Bypass Biological Barriers

Journal: Current Pharmaceutical Design
Volume: 22 Issue: 9 Year: 2016 Page: 1274-1291
Author(s): Amaya Nino-Pariente,Vicent J. Nebot,Maria J. Vicent

Functional heterogeneity as reflected by topological parameters in a classical protein molecular model: t4 phage lysozyme.

Journal: Current Protein & Peptide Science
Volume: 17 Issue: 1 Year: 2016 Page: 52-61
Author(s): Lisa Beatrice Caruso,Alessandro Giuliani,Alfredo Colosimo

Review Article

Generalized Molecular Descriptors Derived From Event-Based Discrete Derivative

Journal: Current Pharmaceutical Design
Volume: 22 Issue: 33 Year: 2016 Page: 5095-5113
Author(s): Oscar Martínez-Santiago,Reisel Millán Cabrera,Yovani Marrero-Ponce,Stephen J. Barigye,Huong Le-Thi-Thu,F. Javier Torres,Cesar H. Zambrano,Ivan Yaber-Goenaga,Maykel Cruz-Monteagudo,Yoan Martínez López,Facundo Pérez Giménez,Francisco Torrens

Review Article

Discriminating Drug-Like Compounds by Partition Trees with Quantum Similarity Indices and Graph Invariants

Journal: Current Pharmaceutical Design
Volume: 22 Issue: 34 Year: 2016 Page: 5179-5195
Author(s): Jesus V. de Julián-Ortiz,Rafael Gozalbes,Emili Besalú

Classification of Human Pregnane X Receptor (hPXR) Activators and Non-Activators by Machine Learning Techniques: A Multifaceted Approach

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 4 Year: 2016 Page: 307-318
Author(s): Vijay Rathod,Vilas Belekar,Prabha Garg,Abhay T. Sangamwar

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