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Lista de obras de Stanislav Geidl

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

artículo científico publicado en 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.

artículo científico publicado en 2014

Exercises Solution

High-quality and universal empirical atomic charges for chemoinformatics applications

artículo científico publicado en 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?

artículo científico publicado en 2012

Introduction

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

artículo científico publicado en 2014

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

artículo científico publicado en 2016

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

artículo científico publicado en 2011

Predicting pKa values from EEM atomic charges

artículo científico publicado en 2013

QM quality atomic charges for proteins.

artículo científico publicado en 2014

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

artículo científico publicado en 2012

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

artículo científico publicado en 2013

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

artículo científico publicado en 2012

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

artículo científico publicado en 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

artículo científico publicado en 2015

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