Biomacromolecular Fragments and Patterns

Channel Characteristics

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

Empirical charges for chemoinformatics applications.

scientific article published on 11 March 2014

Exercises Solution

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

scientific article

Introduction

Nemesis - a molecular modeling package.

scientific article published on 22 March 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

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

Structural Bioinformatics Databases of General Use

Structural Bioinformatics Tools for Drug Design

Validation

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

Virtual screening and in silico design of novel inhibitors of bacterial lectins.

scientific article