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List of works by David Sehnal

Anatomy of enzyme channels

scientific article

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

scientific article (publication date: 2015)

BinaryCIF and CIFTools-Lightweight, efficient and extensible macromolecular data management

scientific article published on 19 October 2020

Biomacromolecular Fragments and Patterns

Channel Characteristics

ChannelsDB: database of biomacromolecular tunnels and pores

scientific article published on 3 October 2017

Characterization via Charges

Complete Process of Data Extraction and Analysis

Concluding Remarks

Consistency of sugar structures and their annotation in the PDB.

scientific article published on 11 March 2014

Detection and Extraction of Fragments

Detection of Channels

Exercises Solution

High-performance macromolecular data delivery and visualization for the web

scientific article published on 26 November 2020

High-performance macromolecular data delivery and visualization for the web. Corrigendum

scientific article published on 01 January 2021

Introduction

LiteMol suite: interactive web-based visualization of large-scale macromolecular structure data

scientific article published in November 2017

MOLE 2.0: advanced approach for analysis of biomacromolecular channels

scientific article (publication date: 16 August 2013)

MOLEonline 2.0: interactive web-based analysis of biomacromolecular channels

scientific article

MOLEonline: a web-based tool for analyzing channels, tunnels and pores (2018 update).

scientific article published in July 2018

Method of Solving the Volume Between Triangulated Mesh Surfaces

Mole 2.5 - Tool for Detection and Analysis of Macromolecular Pores and Channels

scholarly article by Karel Berka et al published February 2017 in Biophysical Journal

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

scientific article

PDBe: towards reusable data delivery infrastructure at protein data bank in Europe

scientific article published on 6 November 2017

PatternQuery: web application for fast detection of biomacromolecular structural patterns in the entire Protein Data Bank

scientific article

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

QSPR designer – a program to design and evaluate QSPR models. Case study on pKa prediction.

scientific article published on 19 April 2011

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

scientific article

Searching for tunnels of proteins – comparison of approaches and available software tools.

scientific article

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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