Unveiling the molecular basis of DNA–protein structure and function: an in silico view

A Singh, S Gulati, M Shoaib, S Kukreti - … and Bioinformatics in the …, 2021 - Elsevier
Handshake of DNA and protein is at the heart of various biological functions occurring
significantly via identification of DNA stretches and structures by proteins. Over recent years …

Integration of bioinformatics and computational biology to understand protein-DNA recognition mechanism

A Sarai, J Siebers, S Selvaraj… - … of Bioinformatics and …, 2005 - World Scientific
Transcription factors play essential role in the gene regulation in higher organisms, binding
to multiple target sequences and regulating multiple genes in a complex manner. In order to …

Docking and scoring for nucleic acid–ligand interactions: Principles and current status

Y Feng, Y Yan, J He, H Tao, Q Wu, SY Huang - Drug Discovery Today, 2022 - Elsevier
Nucleic acid (NA)–ligand interactions have crucial roles in many cellular processes and,
thus, are increasingly attracting therapeutic interest in drug discovery. Molecular docking is a …

[引用][C] Computational Structural Biology of Macromolecular Interactions

J Garcia Lopes Maia Rodrigues - 2014 - Utrecht University

[PDF][PDF] Understanding Protein-DNA Recognition in the Context of Multi-Scale Genome Organization

R Rohs - Biophysical Journal, 2020 - cell.com
Many structures of protein-DNA complexes have been solved and high-throughput binding
assays were developed because structural biology and genomics researchers were equally …

Structural prediction of protein–protein interactions by docking: Application to biomedical problems

D Barradas-Bautista, M Rosell, C Pallara… - Advances in protein …, 2018 - Elsevier
A huge amount of genetic information is available thanks to the recent advances in
sequencing technologies and the larger computational capabilities, but the interpretation of …

GWIDD: genome-wide protein docking database

PJ Kundrotas, Z Zhu, IA Vakser - Nucleic acids research, 2010 - academic.oup.com
Structural information on interacting proteins is important for understanding life processes at
the molecular level. Genome-wide docking database is an integrated resource for structural …

Information-driven modelling of biomolecular complexes. Challenges and perspectives

AMJJ Bonvin - 140.114.97.3
With the presently available amount of genetic information, a lot of attention focuses on
systems biology and in particular on biomolecular interactions. Considering the huge …

Docking studies on DNA-ligand interactions: building and application of a protocol to identify the binding mode

CG Ricci, PA Netz - Journal of chemical information and modeling, 2009 - ACS Publications
Despite DNA being an important target for several drugs, most of the docking programs are
validated only for proteins and their ligands. In this paper, we used AutoDock 4.0 to perform …

[引用][C] Coupled bindingâ bendingâ folding: The complex conformational dynamics of protein-DNA binding studied by atomistic molecular dynamics simulations

A van der Vaart - BBA-General Subjects, 2015