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List of works by Stanislav Geidl

AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules

scientific article (publication date: 2015)

Biomacromolecular Fragments and Patterns

Channel Characteristics

Characterization via Charges

Complete Process of Data Extraction and Analysis

Concluding Remarks

Detection and Extraction of Fragments

Detection of Channels

Empirical charges for chemoinformatics applications.

scientific article published on 11 March 2014

Exercises Solution

High-quality and universal empirical atomic charges for chemoinformatics applications

scientific article (publication date: 2015)

How Does the Methodology of 3D Structure Preparation Influence the Quality of pKa Prediction?

scientific article published on 11 June 2015

How the methodology of 3D structure preparation influences the quality of QSPR models?

scientific article

Introduction

MotiveValidator: interactive web-based validation of ligand and residue structure in biomolecular complexes

scientific article

NEEMP: software for validation, accurate calculation and fast parameterization of EEM charges

scientific article (publication date: 2016)

Predicting pK(a) values of substituted phenols from atomic charges: comparison of different quantum mechanical methods and charge distribution schemes

scientific article published in August 2011

Predicting pKa values from EEM atomic charges

scientific article published on 10 April 2013

QM quality atomic charges for proteins.

scientific article published on 11 March 2014

QSPR designer – employ your own descriptors in the automated QSAR modeling process.

scientific article

Rapid calculation of accurate atomic charges for proteins via the electronegativity equalization method

scientific article published on 13 September 2013

SiteBinder – an improved approach for comparing multiple protein structural motifs. Case studies on biologically important motifs.

scientific article

SiteBinder: An Improved Approach for Comparing Multiple Protein Structural Motifs

scientific database

Structural Bioinformatics Databases of General Use

Structural Bioinformatics Tools for Drug Design

The Eighth Central European Conference "Chemistry towards Biology": Snapshot

scientific article (publication date: 17 October 2016)

Validation

book chapter in Structural Bioinformatics Tools for Drug Design (2016)

ValidatorDB: database of up-to-date validation results for ligands and non-standard residues from the Protein Data Bank

scientific article

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