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.

artículo científico publicado en 2014

Detection and Extraction of Fragments

Detection of Channels

Empirical charges for chemoinformatics applications.

artículo científico publicado en 2014

Exercises Solution

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

artículo científico publicado en 2012

Introduction

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

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

artículo científico publicado en 2012

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

artículo científico publicado en 2012

Structural Bioinformatics Databases of General Use

Structural Bioinformatics Tools for Drug Design

Validation

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