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Kernel Density Estimation Applied to Bond Length, Bond Angle, and Torsion Angle Distributions

https://doi.org/10.1021/ci500156d
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/9780470316849openalex-snapshot
Multivariate Density Estimation
inferredcites →https://doi.org/10.1002/pro.2163openalex-snapshot
Smooth statistical torsion angle potential derived from a large conformational database via adaptive kernel density estimation improves the quality of NMR protein structures
inferredcites →https://doi.org/10.1007/bf01589116openalex-snapshot
On the limited memory BFGS method for large scale optimization
inferredcites →https://doi.org/10.1016/0191-8141(89)90012-6openalex-snapshot
Smoothing a sample of circular data
inferredcites →https://doi.org/10.1016/j.bmcl.2008.06.031openalex-snapshot
Discovery of novel hydroxy-thiazoles as HIF-α prolyl hydroxylase inhibitors: SAR, synthesis, and modeling evaluation
inferredcites →https://doi.org/10.1016/j.csda.2007.11.003openalex-snapshot
Automatic bandwidth selection for circular density estimation
inferredcites →https://doi.org/10.1016/j.str.2011.03.019openalex-snapshot
A Smoothed Backbone-Dependent Rotamer Library for Proteins Derived from Adaptive Kernel Density Estimates and Regressions
inferredcites →https://doi.org/10.1016/s0969-2126(96)00041-xopenalex-snapshot
Knowledge-based potentials for protein folding: what can we learn from known protein structures?
inferredcites →https://doi.org/10.1021/ci200274qopenalex-snapshot
DSX: A Knowledge-Based Scoring Function for the Assessment of Protein–Ligand Complexes
inferredcites →https://doi.org/10.1021/jm050436vopenalex-snapshot
DrugScore CSD Knowledge-Based Scoring Function Derived from Small Molecule Crystal Data with Superior Recognition Rate of Near-Native Ligand Poses and Better Affinity Prediction
inferredcites →https://doi.org/10.1021/jm990073xopenalex-snapshot
Evaluation of PMF Scoring in Docking Weak Ligands to the FK506 Binding Protein
inferredcites →https://doi.org/10.1080/00401706.1987.10488295openalex-snapshot
Density Estimation for Statistics and Data Analysis
inferredcites →https://doi.org/10.1107/s0108768102003890openalex-snapshot
The Cambridge Structural Database: a quarter of a million crystal structures and rising
inferredcites →https://doi.org/10.2307/2004114openalex-snapshot
Handbook of Mathematical Functions with Formulas, Graphs, and Mathematical Tables
inferredcites →https://doi.org/10.2307/2346732openalex-snapshot
Efficient Simulation of the von Mises Distribution

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Non-parametric kernel density estimation of species sensitivity distributions in developing water quality criteria of metals
inferred← citeshttps://doi.org/10.1021/acs.chemrev.9b00155openalex-snapshot
A Million Crystal Structures: The Whole Is Greater than the Sum of Its Parts
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.3c02179openalex-snapshot
Quantifying Local Atomic Distortions in UO 2 Grain Boundaries: Correlation with Energetic and Electronic Properties
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00712openalex-snapshot
Knowledge-Based Optimization of Molecular Geometries Using Crystal Structures
inferred← citeshttps://doi.org/10.1021/acs.jcim.5c02976openalex-snapshot
Quantifying Molecular Flexibility Using Crystallographically Accessible Conformational Space
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00697openalex-snapshot
Knowledge-Based Conformer Generation Using the Cambridge Structural Database
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00704openalex-snapshot
Conformator: A Novel Method for the Generation of Conformer Ensembles
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Use of Crystal Structure Informatics for Defining the Conformational Space Needed for Predicting Crystal Structures of Pharmaceutical Molecules
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A Full-Dimensional Potential Energy Surface and Dynamics of the Multichannel Reaction between H and HO2
inferred← citeshttps://doi.org/10.1021/ci5005465openalex-snapshot
Toward a Benchmarking Data Set Able to Evaluate Ligand- and Structure-based Virtual Screening Using Public HTS Data
inferred← citeshttps://doi.org/10.1039/c9ce02001bopenalex-snapshot
Is it usual to be unusual? An investigation into molecular conformations in organic crystals
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Research on modeling method describing wind power fluctuation probability density based on nonparametric kernel density estimation
inferred← citeshttps://doi.org/10.1111/cbdd.12862openalex-snapshot
Analysis of residue conformations in peptides in Cambridge structural database and protein‐peptide structural complexes
inferred← citeshttps://doi.org/10.19053/01217488.v15.n2.2024.15900openalex-snapshot
Bootstrap versus Jackknife: Confidence intervals, hypothesis testing, density estimation, and kernel regression
inferred← citeshttps://doi.org/10.3389/fsufs.2026.1860394openalex-snapshot
Digital intelligence capacity and agricultural ecological product value realization in China: a provincial coupling-coordination assessment
inferred← citeshttps://doi.org/10.3390/jemr19010010openalex-snapshot
Eye Movement Analysis: A Kernel Density Estimation Approach for Saccade Direction and Amplitude
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Comparison of kernel density function in detecting effects of daily emission of Sulphur (IV) oxide from an industrial plant
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