Systematic Comparison and Comprehensive Evaluation of 80 Amino Acid Descriptors in Peptide QSAR Modeling

A Review on Bioactive Peptides: Physiological Functions, Bioavailability and Safety

(2019) Divya Bhandari et al.   International Journal of Peptide Research and Therapeutics

Quantitative Structure-Activity Relationship Study of Antioxidant Tripeptides Based on Model Population Analysis

(2019) Baichuan Deng et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Health Implications of Bioactive Peptides: A Review

(2019) Elham Nourmohammadi et al.   INTERNATIONAL JOURNAL FOR VITAMIN AND NUTRITION RESEARCH

A Comprehensive Review on Current Advances in Peptide Drug Development and Design

(2019) Andy Chi-Lung Lee et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Quantitative Structure–Activity Relationship Study of Bitter Di-, Tri- and Tetrapeptides Using Integrated Descriptors

(2019) Xu et al.   MOLECULES

Recurrent Neural Network Model for Constructive Peptide Design

(2018) Alex T. Müller et al.   Journal of Chemical Information and Modeling

Targeting Self-Binding Peptides as a Novel Strategy To Regulate Protein Activity and Function: A Case Study on the Proto-oncogene Tyrosine Protein Kinase c-Src

(2017) Zhengya Bai et al.   Journal of Chemical Information and Modeling

The Current State of Peptide Drug Discovery: Back to the Future?

(2017) Antoine Henninot et al.   JOURNAL OF MEDICINAL CHEMISTRY

Comprehensive comparison of twenty structural characterization scales applied as QSAM of antimicrobial dodecapeptides derived from Bac2A against P. aeruginosa

(2017) Yu Qian et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

A two-step binding mechanism for the self-binding peptide recognition of target domains

(2016) Chao Yang et al.   Molecular BioSystems

Strategies for the discovery, identification and validation of milk protein-derived bioactive peptides

(2016) Alice B. Nongonierma et al.   TRENDS IN FOOD SCIENCE & TECHNOLOGY

Structure-activity relationship of a series of antioxidant tripeptides derived from β-Lactoglobulin using QSAR modeling

(2015) Mai Tian et al.   Dairy Science & Technology

Self-Binding Peptides: Folding or Binding?

(2015) Chao Yang et al.   Journal of Chemical Information and Modeling

Consistency of QSAR models: Correct split of training and test sets, ranking of models and performance parameters

(2015) A. Rácz et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Computational Peptidology: A New and Promising Approach to Therapeutic Peptide Design

(2013) P. Zhou et al.   CURRENT MEDICINAL CHEMISTRY

What are the ideal properties for functional food peptides with antihypertensive effect? A computational peptidology approach

(2013) Peng Zhou et al.   FOOD CHEMISTRY

Biomacromolecular quantitative structure–activity relationship (BioQSAR): a proof-of-concept study on the modeling, prediction and interpretation of protein–protein binding affinity

(2013) Peng Zhou et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Structure-Based Prediction of Domain-Peptide Binding Affinity by Dissecting Residue Interaction Profile at Complex Interface: A Case Study on CAL PDZ Domain

(2013) Rongzhong Jin et al.   PROTEIN AND PEPTIDE LETTERS

Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets

(2013) Gerard JP van Westen et al.   Journal of Cheminformatics

Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets

(2013) Gerard JP van Westen et al.   Journal of Cheminformatics

Structure-based prediction of protein–protein binding affinity with consideration of allosteric effect

(2011) Feifei Tian et al.   AMINO ACIDS

Quantitative structure–activity relationship study of antioxidative peptide by using different sets of amino acids descriptors

(2011) Yao-Wang Li et al.   JOURNAL OF MOLECULAR STRUCTURE

Computational design of peptide ligands

(2011) Peter Vanhee et al.   TRENDS IN BIOTECHNOLOGY

Evaluation of model predictive ability by external validation techniques

(2010) Viviana Consonni et al.   JOURNAL OF CHEMOMETRICS

Applying Chemometrics Approaches to Model and Predict the Binding Affinities Between the Human Amphiphysin SH3 Domain and Its Peptide Ligands (Suplementary Material)

(2010) Lijun Liu et al.   PROTEIN AND PEPTIDE LETTERS

Gaussian process: an alternative approach for QSAM modeling of peptides

(2009) Peng Zhou et al.   AMINO ACIDS

Comments on the Definition of theQ2Parameter for QSAR Validation

(2009) Viviana Consonni et al.   Journal of Chemical Information and Modeling

Comprehensive comparison of eight statistical modelling methods used in quantitative structure–retention relationship studies for liquid chromatographic retention times of peptides generated by protease digestion of the Escherichia coli proteome

(2009) Peng Zhou et al.   JOURNAL OF CHROMATOGRAPHY A

Identification of Novel Antibacterial Peptides by Chemoinformatics and Machine Learning†

(2009) Christopher D. Fjell et al.   JOURNAL OF MEDICINAL CHEMISTRY

Modeling and prediction of retention behavior of histidine-containing peptides in immobilized metal-affinity chromatography

(2009) Feifei Tian et al.   JOURNAL OF SEPARATION SCIENCE

In silico quantitative prediction of peptides binding affinity to human MHC molecule: an intuitive quantitative structure–activity relationship approach

(2008) F. Tian et al.   AMINO ACIDS

Modeling and prediction of binding affinities between the human amphiphysin SH3 domain and its peptide ligands using genetic algorithm-Gaussian processes

(2008) Peng Zhou et al.   BIOPOLYMERS

Quantitative Sequence-Activity Model (QSAM): Applying QSAR Strategy to Model and Predict Bioactivity and Function of Peptides, Proteins and Nucleic Acids

(2008) Peng Zhou et al.   Current Computer-Aided Drug Design

Peptide-mediated interactions in biological systems: new discoveries and applications

(2008) Evangelia Petsalaki et al.   CURRENT OPINION IN BIOTECHNOLOGY

A set of new amino acid descriptors applied in prediction of MHC class I binding peptides

(2008) Guizhao Liang et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

External Validation and Prediction Employing the Predictive Squared Correlation Coefficient  Test Set Activity Mean vs Training Set Activity Mean

(2008) Gerrit Schüürmann et al.   Journal of Chemical Information and Modeling

A novel descriptor of amino acids and its application in peptide QSAR

(2008) Jianbo Tong et al.   JOURNAL OF THEORETICAL BIOLOGY

Toward Prediction of Binding Affinities Between the MHC Protein and Its Peptide Ligands Using Quantitative Structure-Affinity Relationship Approach

(2008) Feifei Tian et al.   PROTEIN AND PEPTIDE LETTERS