Use of molecular docking computational tools in drug discovery
F Stanzione, I Giangreco, JC Cole - Progress in medicinal chemistry, 2021 - Elsevier
Molecular docking has become an important component of the drug discovery process.
Since first being developed in the 1980s, advancements in the power of computer hardware …
Since first being developed in the 1980s, advancements in the power of computer hardware …
[HTML][HTML] Long non-coding RNA and RNA-binding protein interactions in cancer: experimental and machine learning approaches
Understanding the complex and specific roles played by non-coding RNAs (ncRNAs), which
comprise the bulk of the genome, is important for understanding virtually every hallmark of …
comprise the bulk of the genome, is important for understanding virtually every hallmark of …
Omicron and Delta variant of SARS‐CoV‐2: a comparative computational study of spike protein
S Kumar, TS Thambiraja, K Karuppanan… - Journal of medical …, 2022 - Wiley Online Library
Emerging severe acute respiratory syndrome coronavirus type 2 (SARS‐CoV‐2) variants,
especially those of concern, may have an impact on the virus's transmissibility and …
especially those of concern, may have an impact on the virus's transmissibility and …
Omicron (BA. 1) and sub‐variants (BA. 1.1, BA. 2, and BA. 3) of SARS‐CoV‐2 spike infectivity and pathogenicity: A comparative sequence and structural‐based …
S Kumar, K Karuppanan… - Journal of medical …, 2022 - Wiley Online Library
The Omicron variant of the severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2)
has now spread throughout the world. We used computational tools to assess the spike …
has now spread throughout the world. We used computational tools to assess the spike …
The HDOCK server for integrated protein–protein docking
Abstract The HDOCK server (http://hdock. phys. hust. edu. cn/) is a highly integrated suite of
homology search, template-based modeling, structure prediction, macromolecular docking …
homology search, template-based modeling, structure prediction, macromolecular docking …
HawkDock: a web server to predict and analyze the protein–protein complex based on computational docking and MM/GBSA
Protein–protein interactions (PPIs) play an important role in the different functions of cells,
but accurate prediction of the three-dimensional structures for PPIs is still a notoriously …
but accurate prediction of the three-dimensional structures for PPIs is still a notoriously …
HDOCK: a web server for protein–protein and protein–DNA/RNA docking based on a hybrid strategy
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 …
biological processes. Determining the complex structures of these interactions is valuable, in …
Structure of fish Toll-like receptors (TLR) and NOD-like receptors (NLR)
BR Sahoo - International journal of biological macromolecules, 2020 - Elsevier
Innate immunity driven by pattern recognition receptor (PRR) protects the host from invading
pathogens. Aquatic animals like fish where the adaptive immunity is poorly developed …
pathogens. Aquatic animals like fish where the adaptive immunity is poorly developed …
A nuclease that mediates cell death induced by DNA damage and poly (ADP-ribose) polymerase-1
Y Wang, R An, GK Umanah, H Park, K Nambiar… - Science, 2016 - science.org
INTRODUCTION Poly (ADP-ribose)(PAR) polymerase-1 (PARP-1) is a nuclear enzyme
responding to oxidative stress and DNA damage. Excessive activation of PARP-1 causes an …
responding to oxidative stress and DNA damage. Excessive activation of PARP-1 causes an …
How good is automated protein docking?
The protein docking server ClusPro has been participating in critical assessment of
prediction of interactions (CAPRI) since its introduction in 2004. This article evaluates the …
prediction of interactions (CAPRI) since its introduction in 2004. This article evaluates the …