[PDF][PDF] Applications of Molecular Docking in Biological Sciences

ES Istifli - phantomsfoundation.com
The submicroscopic details of interactions between small molecules and macromolecules,
or between macromolecules themselves (ie, DNA-ligand, protein-ligand, DNA-protein …

HDOCK: a web server for protein–protein and protein–DNA/RNA docking based on a hybrid strategy

Y Yan, D Zhang, P Zhou, B Li… - Nucleic acids research, 2017 - academic.oup.com
Protein–protein and protein–DNA/RNA interactions play a fundamental role in a variety of
biological processes. Determining the complex structures of these interactions is valuable, in …

SwissDock, a protein-small molecule docking web service based on EADock DSS

A Grosdidier, V Zoete, O Michielin - Nucleic acids research, 2011 - academic.oup.com
Most life science processes involve, at the atomic scale, recognition between two molecules.
The prediction of such interactions at the molecular level, by so-called docking software, is a …

Structure-based modeling of protein: DNA specificity

AP Joyce, C Zhang, P Bradley… - Briefings in functional …, 2015 - academic.oup.com
Protein: DNA interactions are essential to a range of processes that maintain and express
the information encoded in the genome. Structural modeling is an approach that aims to …

Docking strategies

A Sharma, RM Yennamalli - Basic Biotechniques for Bioprocess and …, 2023 - Elsevier
Biomolecules are able to communicate with each other by physical contacts and
interactions. These interactions are mostly captured through experimental methods, such as …

Prediction of MEF2A–DNA interface by rigid body docking: a tool for fast estimation of protein mutational effects on DNA binding

F Fanelli, S Ferrari - Journal of structural biology, 2006 - Elsevier
The protein–protein docking algorithm ZDOCK has been challenged for the first time to
predict protein–DNA contacts. The computational approach defined in this study has proven …

[HTML][HTML] pyDockDNA: a new web server for energy-based protein-DNA docking and scoring

LA Rodríguez-Lumbreras, B Jiménez-García… - Frontiers in molecular …, 2022 - frontiersin.org
Proteins and nucleic acids are essential biological macromolecules for cell life. Indeed,
interactions between proteins and DNA regulate many biological processes such as protein …

MELD-DNA: Accurate structural prediction of protein-DNA interactions

R Esmaeeli, AB Riera, A Perez - Biophysical Journal, 2023 - cell.com
Protein-DNA interaction is one of the most important aspects of biology. It is a main step of
gene regulation in all organisms and is a potential target for therapeutic and biotech …

[HTML][HTML] Development of nucleic acid targeting molecules: Molecular docking approaches and recent advances

M Umare, FA Alkathiri, R Chikhale - Molecular Docking-Recent …, 2022 - intechopen.com
Molecular docking is a widely used and effective structure-based computational strategy for
predicting dynamics between ligands and receptors. Until now the docking software were …

[PDF][PDF] Rules of Protein-DNA Recognition: Computational and Experimental Advances

HJ Bussemaker, R Rohs - 2015 - birs.ca
1 Background All genetic information in a cell is stored in its DNA, which provides a highly
stable medium for information storage and retrieval. To make use of this stored information …