about
MOLE 2.0: advanced approach for analysis of biomacromolecular channelsAtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like moleculesCharge profile analysis reveals that activation of pro-apoptotic regulators Bax and Bak relies on charge transfer mediated allosteric regulationValidatorDB: database of up-to-date validation results for ligands and non-standard residues from the Protein Data BankPatternQuery: web application for fast detection of biomacromolecular structural patterns in the entire Protein Data Bank.MotiveValidator: interactive web-based validation of ligand and residue structure in biomolecular complexes.MOLEonline 2.0: interactive web-based analysis of biomacromolecular channelsPredicting pKa values from EEM atomic charges.How Does the Methodology of 3D Structure Preparation Influence the Quality of pKa Prediction?Rapid calculation of accurate atomic charges for proteins via the electronegativity equalization method.Predicting pK(a) values of substituted phenols from atomic charges: comparison of different quantum mechanical methods and charge distribution schemes.Searching for tunnels of proteins – comparison of approaches and available software tools.SiteBinder – an improved approach for comparing multiple protein structural motifs. Case studies on biologically important motifs.QSPR designer – employ your own descriptors in the automated QSAR modeling process.Consistency of sugar structures and their annotation in the PDB.QM quality atomic charges for proteins.Empirical charges for chemoinformatics applications.CrocoBLAST: Running BLAST efficiently in the age of next-generation sequencing.SiteBinder: An Improved Approach for Comparing Multiple Protein Structural Motifs
P50
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P50
description
onderzoeker
@nl
name
Crina-Maria Ionescu
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Crina-Maria Ionescu
@en
Crina-Maria Ionescu
@es
Crina-Maria Ionescu
@nl
Crina-Maria Ionescu
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type
label
Crina-Maria Ionescu
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Crina-Maria Ionescu
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Crina-Maria Ionescu
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Crina-Maria Ionescu
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Crina-Maria Ionescu
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Crina-Maria Ionescu
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Crina-Maria Ionescu
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Crina-Maria Ionescu
@es
Crina-Maria Ionescu
@nl
Crina-Maria Ionescu
@sl