Molecular dynamics: new frontier in personalized medicine
The field of drug discovery has witnessed infinite development over the last decade with the
demand for discovery of novel efficient lead compounds. Although the development of novel …
demand for discovery of novel efficient lead compounds. Although the development of novel …
[HTML][HTML] Computational prediction of protein interfaces: A review of data driven methods
Reliably pinpointing which specific amino acid residues form the interface (s) between a
protein and its binding partner (s) is critical for understanding the structural and …
protein and its binding partner (s) is critical for understanding the structural and …
High-resolution structure and strain comparison of infectious mammalian prions
Within the extensive range of self-propagating pathologic protein aggregates of mammals,
prions are the most clearly infectious (eg,∼ 10 9 lethal doses per milligram). The structures …
prions are the most clearly infectious (eg,∼ 10 9 lethal doses per milligram). The structures …
Base-resolution models of transcription-factor binding reveal soft motif syntax
Ž Avsec, M Weilert, A Shrikumar, S Krueger… - Nature …, 2021 - nature.com
The arrangement (syntax) of transcription factor (TF) binding motifs is an important part of the
cis-regulatory code, yet remains elusive. We introduce a deep learning model, BPNet, that …
cis-regulatory code, yet remains elusive. We introduce a deep learning model, BPNet, that …
Protein interface prediction using graph convolutional networks
A Fout, J Byrd, B Shariat… - Advances in neural …, 2017 - proceedings.neurips.cc
We consider the prediction of interfaces between proteins, a challenging problem with
important applications in drug discovery and design, and examine the performance of …
important applications in drug discovery and design, and examine the performance of …
Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site
J Lee, LJ Worrall, M Vuckovic, FI Rosell… - Nature …, 2020 - nature.com
Abstract Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), the pathogen
that causes the disease COVID-19, produces replicase polyproteins 1a and 1ab that …
that causes the disease COVID-19, produces replicase polyproteins 1a and 1ab that …
[HTML][HTML] An antibiotic from an uncultured bacterium binds to an immutable target
Antimicrobial resistance is a leading mortality factor worldwide. Here, we report the
discovery of clovibactin, an antibiotic isolated from uncultured soil bacteria. Clovibactin …
discovery of clovibactin, an antibiotic isolated from uncultured soil bacteria. Clovibactin …
RaptorX-Property: a web server for protein structure property prediction
Abstract RaptorX Property (http://raptorx2. uchicago. edu/StructurePropertyPred/predict/) is a
web server predicting structure property of a protein sequence without using any templates …
web server predicting structure property of a protein sequence without using any templates …
Aβ (1–42) fibril structure illuminates self-recognition and replication of amyloid in Alzheimer's disease
Increasing evidence has suggested that formation and propagation of misfolded aggregates
of 42-residue human amyloid β (Aβ (1–42)), rather than of the more abundant Aβ (1–40) …
of 42-residue human amyloid β (Aβ (1–42)), rather than of the more abundant Aβ (1–40) …
Stimuli-responsive, pentapeptide, nanofiber hydrogel for tissue engineering
Short peptides are uniquely versatile building blocks for self-assembly. Supramolecular
peptide assemblies can be used to construct functional hydrogel biomaterials—an attractive …
peptide assemblies can be used to construct functional hydrogel biomaterials—an attractive …