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Three‐dimensional holograph vector of atomic interaction field (3D‐HoVAIF): a novel rotation–translation invariant 3D structure descriptor and its applications to peptides
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Handbook of Molecular Descriptors
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Statistical Validation of QSAR Results
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A Novel MHDV Descriptor for Dipeptide QSAR Studies
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Multivariate Parametrization of 55 Coded and Non‐Coded Amino Acids
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Amino Acids Characterization by GRID and Multivariate Data Analysis
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The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models
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Structural Requirements of Angiotensin I‐Converting Enzyme Inhibitory Peptides: Quantitative Structure‐Activity Relationship Modeling of Peptides Containing 4‐10 Amino Acid Residues
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HINT: A new method of empirical hydrophobic field calculation for CoMFA
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inferredcites →https://doi.org/10.1016/j.bmc.2004.07.017openalex-snapshot
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inferredcites →https://doi.org/10.1016/j.bmcl.2004.04.040openalex-snapshot
A TOPS-MODE approach to predict adenosine kinase inhibition
inferredcites →https://doi.org/10.1016/j.foodchem.2006.06.026openalex-snapshot
Modelling relationship between angiotensin-(I)-converting enzyme inhibition and the bitter taste of peptides
inferredcites →https://doi.org/10.1016/j.idairyj.2004.04.009openalex-snapshot
Caseins as source of bioactive peptides
inferredcites →https://doi.org/10.1016/j.molstruc.2006.07.004openalex-snapshot
T-scale as a novel vector of topological descriptors for amino acids and its application in QSARs of peptides
inferredcites →https://doi.org/10.1016/s0021-9258(19)86187-2openalex-snapshot
Binding of peptide substrates and inhibitors of angiotensin-converting enzyme. Importance of the COOH-terminal dipeptide sequence.
inferredcites →https://doi.org/10.1016/s0022-2836(83)80129-6openalex-snapshot
Protein folding by restrained energy minimization and molecular dynamics
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A Novel Family of Mammalian Taste Receptors
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Preliminary approach to estimation and prediction of infrared spectroscopy for Mannich bases by atomic electronegativity distance vector (VAED)
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PLS-regression: a basic tool of chemometrics
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Genetic algorithms applied to feature selection in PLS regression: how and when to use them
inferredcites →https://doi.org/10.1016/s0169-7439(98)00062-8openalex-snapshot
Preprocessing peptide sequences for multivariate sequence-property analysis
inferredcites →https://doi.org/10.1021/bi00644a014openalex-snapshot
Design of potent competitive inhibitors of angiotensin-converting enzyme. Carboxyalkanoyl and mercaptoalkanoyl amino acids
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Structural Details on the Binding of Antihypertensive Drugs Captopril and Enalaprilat to Human Testicular Angiotensin I-Converting Enzyme ,
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The electrotopological state: structure information at the atomic level for molecular graphs
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Molecular Electronegative Distance Vector (MEDV) Related to 15 Properties of Alkanes
inferredcites →https://doi.org/10.1021/ci0003350openalex-snapshot
QSAR Study of Steroid Benchmark and Dipeptides Based on MEDV-13
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Combined MEDV-GA-MLR Method for QSAR of Three Panels of Steroids, Dipeptides, and COX-2 Inhibitors
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Approach to Estimation and Prediction for Normal Boiling Point (NBP) of Alkanes Based on a Novel Molecular Distance-Edge (MDE) Vector, λ
inferredcites →https://doi.org/10.1021/ci970437zopenalex-snapshot
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MS-WHIM Scores for Amino Acids: A New 3D-Description for Peptide QSAR and QSPR Studies
inferredcites →https://doi.org/10.1021/ci990086jopenalex-snapshot
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Database Searching for Compounds with Similar Biological Activity Using Short Binary Bit String Representations of Molecules
inferredcites →https://doi.org/10.1021/ci9903206openalex-snapshot
Structurally Diverse Quantitative Structure−Property Relationship Correlations of Technologically Relevant Physical Properties
inferredcites →https://doi.org/10.1021/ja00226a005openalex-snapshot
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inferredcites →https://doi.org/10.1021/ja00856a001openalex-snapshot
Characterization of molecular branching
inferredcites →https://doi.org/10.1021/ja01203a022openalex-snapshot
Correlation of Heats of Isomerization, and Differences in Heats of Vaporization of Isomers, Among the Paraffin Hydrocarbons
inferredcites →https://doi.org/10.1021/jm00012a007openalex-snapshot
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inferredcites →https://doi.org/10.1021/jm00014a022openalex-snapshot
Amino Acid Side Chain Descriptors for Quantitative Structure-Activity Relationship Studies of Peptide Analogs
inferredcites →https://doi.org/10.1021/jm00050a010openalex-snapshot
Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity
inferredcites →https://doi.org/10.1021/jm00145a002openalex-snapshot
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
inferredcites →https://doi.org/10.1021/jm00390a003openalex-snapshot
Peptide quantitative structure-activity relationships, a multivariate approach
inferredcites →https://doi.org/10.1021/jm00393a031openalex-snapshot
Quantitative structure-activity relationships of the bitter thresholds of amino acids, peptides, and their derivatives
inferredcites →https://doi.org/10.1021/jm00402a025openalex-snapshot
The hypothetical active site lattice. An approach to modelling active sites from data on inhibitor molecules
inferredcites →https://doi.org/10.1021/jm0505258openalex-snapshot
Analysis of Peptide−Protein Binding Using Amino Acid Descriptors: Prediction and Experimental Verification for Human Histocompatibility Complex HLA-A*0201
inferredcites →https://doi.org/10.1021/jm950589qopenalex-snapshot
Comparative Molecular Moment Analysis (CoMMA): 3D-QSAR without Molecular Superposition
inferredcites →https://doi.org/10.1023/a:1008026308790openalex-snapshot
EVA: A new theoretically based molecular descriptor for use in QSAR/QSPR analysis
inferredcites →https://doi.org/10.1023/a:1008079512289openalex-snapshot
MS-WHIM, new 3D theoretical descriptors derived from molecular surface properties: A comparative 3D QSAR study in a series of steroids
inferredcites →https://doi.org/10.1023/a:1015952613760openalex-snapshot
An Electrotopological-State Index for Atoms in Molecules
inferredcites →https://doi.org/10.1023/b:modi.0000006538.99122.00openalex-snapshot
Validation subset selections for extrapolation oriented QSPAR models
inferredcites →https://doi.org/10.1038/35007072openalex-snapshot
A family of candidate taste receptors in human and mouse
inferredcites →https://doi.org/10.1039/cs9952400279openalex-snapshot
QSPR: the correlation and quantitative prediction of chemical and physical properties from structure
inferredcites →https://doi.org/10.1074/jbc.m202359200openalex-snapshot
Kinetic and Affinity Predictions of a Protein-Protein Interaction Using Multivariate Experimental Design
inferredcites →https://doi.org/10.1089/1066527041887302openalex-snapshot
Toward the Quantitative Prediction of T-Cell Epitopes: QSAR Studies on Peptides Having Affinity with the Class I MHC Molecular HLA-A*0201
inferredcites →https://doi.org/10.1111/j.1399-3011.1991.tb00756.xopenalex-snapshot
Minimum analogue peptide sets (MAPS) for quantitative structure‐activity relationships
inferredcites →https://doi.org/10.1137/0905052openalex-snapshot
The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized Inverses
inferredcites →https://doi.org/10.1246/bcsj.44.2332openalex-snapshot
Topological Index. A Newly Proposed Quantity Characterizing the Topological Nature of Structural Isomers of Saturated Hydrocarbons
inferredcites →https://doi.org/10.3390/91201124openalex-snapshot
Protein Quadratic Indices of the “Macromolecular Pseudograph’s α-Carbon Atom Adjacency Matrix”. 1. Prediction of Arc Repressor Alanine-mutant’s Stability
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Rational Design of Angiotensin‐I‐Converting Enzyme Inhibitory Peptides by Integrating in silico Modeling and an in vitro Assay
inferred← citeshttps://doi.org/10.1002/jcc.23436openalex-snapshot
HomoSAR: Bridging comparative protein modeling with quantitative structural activity relationship to design new peptides
inferred← citeshttps://doi.org/10.1002/minf.200900058openalex-snapshot
Prediction of Water′s Mobility and Disorder in Protein Crystals Using Novel Local Hydrophobic Descriptors
inferred← citeshttps://doi.org/10.1007/s00726-008-0228-1openalex-snapshot
Gaussian process: an alternative approach for QSAM modeling of peptides
inferred← citeshttps://doi.org/10.1007/s00726-011-1101-1openalex-snapshot
Structure-based prediction of protein–protein binding affinity with consideration of allosteric effect
inferred← citeshttps://doi.org/10.1007/s10822-008-9240-5openalex-snapshot
On the interpretation and interpretability of quantitative structure–activity relationship models
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What are the ideal properties for functional food peptides with antihypertensive effect? A computational peptidology approach
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A segmented principal component analysis—regression approach to QSAR study of peptides
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Is the structural diversity of tripeptides sufficient for developing functional food additives with satisfactory multiple bioactivities?
inferred← citeshttps://doi.org/10.1021/acsomega.2c03062openalex-snapshot
Comprehensive Evaluation and Comparison of Machine Learning Methods in QSAR Modeling of Antioxidant Tripeptides
inferred← citeshttps://doi.org/10.1038/s41598-022-20173-zopenalex-snapshot
3D optical illusion as visualisation tools in spatial planning and development
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Discovery of vascular endothelial growth factor receptor tyrosine kinase inhibitors by quantitative structure–activity relationships, molecular dynamics simulation and free energy calculation
inferred← citeshttps://doi.org/10.1039/c6ra12738jopenalex-snapshot
Learnings from quantitative structure–activity relationship (QSAR) studies with respect to food protein-derived bioactive peptides: a review
inferred← citeshttps://doi.org/10.1080/08927022.2013.788247openalex-snapshot
Integration of QSAR modelling and QM/MM analysis to investigate functional food peptides with antihypertensive activity
inferred← citeshttps://doi.org/10.1080/09637486.2018.1446916openalex-snapshot
BioPepDB: an integrated data platform for food-derived bioactive peptides
inferred← citeshttps://doi.org/10.1093/bib/bbac097openalex-snapshot
Integrated unsupervised–supervised modeling and prediction of protein–peptide affinities at structural level
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Predicting the Binding Affinity of Epitope‐Peptides with HLA‐A*0201 by Encoding Atom‐Pair Non‐covalent Interaction Information between Receptor and Ligands
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Structural Features Governing the Activity of Lactoferricin-Derived Peptides That Act in Synergy with Antibiotics against Pseudomonas aeruginosa In Vitro and In Vivo
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An Index for Characterization of Natural and Non-Natural Amino Acids for Peptidomimetics
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Descriptors for antimicrobial peptides
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Computational Peptidology: A New and Promising Approach to Therapeutic Peptide Design
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Potential of Marine Bacterial Metalloprotease A69 in the Preparation of Antarctic Krill Peptides with Multi-Bioactivities
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Improving Health-Promoting Effects of Food-Derived Bioactive Peptides through Rational Design and Oral Delivery Strategies
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