Docking techniques in toxicology: an overview

M Gupta, R Sharma, A Kumar - Current Bioinformatics, 2020 - ingentaconnect.com
A variety of environmental toxicants such as heavy metals, pesticides, organic chemicals, etc
produce harmful effects in our living systems. In the literature, various reports have indicated …

[HTML][HTML] Protein-DNA docking with a coarse-grained force field

P Setny, RP Bahadur, M Zacharias - BMC bioinformatics, 2012 - Springer
Background Protein-DNA interactions are important for many cellular processes, however
structural knowledge for a large fraction of known and putative complexes is still lacking …

[HTML][HTML] The binding of syndapin SH3 domain to dynamin proline-rich domain involves short and long distance elements

L Luo, J Xue, A Kwan, R Gamsjaeger, J Wielens… - Journal of Biological …, 2016 - ASBMB
Dynamin is a GTPase that mediates vesicle fission during synaptic vesicle endocytosis. Its
long C-terminal proline-rich domain contains 13 PXXP motifs, which orchestrate its …

ParaDock: a flexible non-specific DNA—rigid protein docking algorithm

I Banitt, HJ Wolfson - Nucleic Acids Research, 2011 - academic.oup.com
Accurate prediction of protein–DNA complexes could provide an important stepping stone
towards a thorough comprehension of vital intracellular processes. Few attempts were made …

Solution structures of the trihelix DNA‐binding domains of the wild‐type and a phosphomimetic mutant of Arabidopsis GT‐1: Mechanism for an increase in DNA …

T Nagata, E Niyada, N Fujimoto… - Proteins: Structure …, 2010 - Wiley Online Library
GT‐1 is a plant transcription factor that binds to one of the cis‐acting elements, BoxII, which
resides within the upstream promoter region of light‐responsive genes. GT‐1 was assumed …

Solution NMR structure of putidaredoxin–cytochrome P450cam complex via a combined residual dipolar coupling–spin labeling approach suggests a role for Trp106 …

W Zhang, SS Pochapsky, TC Pochapsky… - Journal of molecular …, 2008 - Elsevier
The 58-kDa complex formed between the [2Fe–2S] ferredoxin, putidaredoxin (Pdx), and
cytochrome P450cam (CYP101) from the bacterium Pseudomonas putida has been …

The C-terminal zinc fingers of ZBTB38 are novel selective readers of DNA methylation

A Pozner, NO Hudson, J Trewhella… - Journal of molecular …, 2018 - Elsevier
Methyl-CpG binding proteins play an essential role in translating DNA methylation marks
into a downstream transcriptional response, which has implications for both normal cell …

Targeting tachykinin peptides involved in viral infections through in silico approach: Screening the unforeseen potency of serratiopeptidase

A Dhiman, R Purohit - Journal of Molecular Liquids, 2023 - Elsevier
Viral infections present formidable hurdles to global public health, thus demanding the
imperative development of efficacious therapeutic interventions. In the realm of antiviral …

Multiscale modeling of macromolecular biosystems

SC Flores, J Bernauer, S Shin, R Zhou… - Briefings in …, 2012 - academic.oup.com
In this article, we review the recent progress in multiresolution modeling of structure and
dynamics of protein, RNA and their complexes. Many approaches using both physics-based …

[PDF][PDF] The structure of the XPF-ssDNA complex underscores the distinct roles of the XPF and ERCC1 helix-hairpin-helix domains in ss/ds DNA recognition

D Das, GE Folkers, M van Dijk, NGJ Jaspers… - Structure, 2012 - cell.com
Human XPF/ERCC1 is a structure-specific DNA endonuclease that nicks the damaged DNA
strand at the 5′ end during nucleotide excision repair. We determined the structure of the …