DOCK 6: Combining techniques to model RNA–small molecule complexes
PT Lang, SR Brozell, S Mukherjee, EF Pettersen… - Rna, 2009 - rnajournal.cshlp.org
With an increasing interest in RNA therapeutics and for targeting RNA to treat disease, there
is a need for the tools used in protein-based drug design, particularly DOCKing algorithms …
is a need for the tools used in protein-based drug design, particularly DOCKing algorithms …
DR_bind: a web server for predicting DNA-binding residues from the protein structure based on electrostatics, evolution and geometry
YC Chen, JD Wright, C Lim - Nucleic acids research, 2012 - academic.oup.com
DR_bind is a web server that automatically predicts DNA-binding residues, given the
respective protein structure based on (i) electrostatics,(ii) evolution and (iii) geometry. In …
respective protein structure based on (i) electrostatics,(ii) evolution and (iii) geometry. In …
Structural alignment of protein–DNA interfaces: insights into the determinants of binding specificity
TW Siggers, A Silkov, B Honig - Journal of molecular biology, 2005 - Elsevier
A new method is introduced to structurally align interfaces observed in protein–DNA
complexes. The method is based on a procedure that describes the interfacial geometry in …
complexes. The method is based on a procedure that describes the interfacial geometry in …
DNAproDB: an expanded database and web-based tool for structural analysis of DNA–protein complexes
JM Sagendorf, N Markarian, HM Berman… - Nucleic acids …, 2020 - academic.oup.com
Abstract DNAproDB (https://dnaprodb. usc. edu) is a web-based database and structural
analysis tool that offers a combination of data visualization, data processing and search …
analysis tool that offers a combination of data visualization, data processing and search …
Comparison of computational methods to model DNA minor groove binders
There has been a profound interest in designing small molecules that interact in sequence-
selective fashion with DNA minor grooves. However, most in silico approaches have not …
selective fashion with DNA minor grooves. However, most in silico approaches have not …
SwissDock 2024: major enhancements for small-molecule docking with Attracting Cavities and AutoDock Vina
Drug discovery aims to identify potential therapeutic compounds capable of modulating the
activity of specific biological targets. Molecular docking can efficiently support this process …
activity of specific biological targets. Molecular docking can efficiently support this process …
Dynamic and structural modeling of the specificity in protein–DNA interactions guided by binding assay and structure data
How transcription factors (TFs) recognize their DNA sequences is often investigated
complementarily by high-throughput protein binding assays and by structural biology …
complementarily by high-throughput protein binding assays and by structural biology …
Prediction of DNA-binding residues from sequence
Motivation: Thousands of proteins are known to bind to DNA; for most of them the
mechanism of action and the residues that bind to DNA, ie the binding sites, are yet …
mechanism of action and the residues that bind to DNA, ie the binding sites, are yet …
LZerD webserver for pairwise and multiple protein–protein docking
C Christoffer, S Chen, V Bharadwaj… - Nucleic Acids …, 2021 - academic.oup.com
Protein complexes are involved in many important processes in living cells. To understand
the mechanisms of these processes, it is necessary to solve the 3D structures of the protein …
the mechanisms of these processes, it is necessary to solve the 3D structures of the protein …
Bioinformatic analysis of the protein/DNA interface
To investigate the principles driving recognition between proteins and DNA, we analyzed
more than thousand crystal structures of protein/DNA complexes. We classified protein and …
more than thousand crystal structures of protein/DNA complexes. We classified protein and …