Molecular dynamics simulations in drug discovery and pharmaceutical development

OMH Salo-Ahen, I Alanko, R Bhadane, AMJJ Bonvin… - Processes, 2020 - mdpi.com
Molecular dynamics (MD) simulations have become increasingly useful in the modern drug
development process. In this review, we give a broad overview of the current application …

The proteostasis network and its decline in ageing

MS Hipp, P Kasturi, FU Hartl - Nature reviews Molecular cell biology, 2019 - nature.com
Ageing is a major risk factor for the development of many diseases, prominently including
neurodegenerative disorders such as Alzheimer disease and Parkinson disease. A hallmark …

The SARS-CoV-2 nucleocapsid protein: its role in the viral life cycle, structure and functions, and use as a potential target in the development of vaccines and …

W Wu, Y Cheng, H Zhou, C Sun, S Zhang - Virology journal, 2023 - Springer
Abstract Coronavirus disease 2019 (COVID-19) continues to take a heavy toll on personal
health, healthcare systems, and economies around the globe. Scientists are expending …

Pathways of cellular proteostasis in aging and disease

CL Klaips, GG Jayaraj, FU Hartl - Journal of Cell Biology, 2018 - rupress.org
Ensuring cellular protein homeostasis, or proteostasis, requires precise control of protein
synthesis, folding, conformational maintenance, and degradation. A complex and adaptive …

In vivo aspects of protein folding and quality control

D Balchin, M Hayer-Hartl, FU Hartl - Science, 2016 - science.org
BACKGROUND Proteins are synthesized on ribosomes as linear chains of amino acids and
must fold into unique three-dimensional structures to fulfill their biological functions. Protein …

The cell-cycle arrest and apoptotic functions of p53 in tumor initiation and progression

J Chen - Cold Spring Harbor perspectives in …, 2016 - perspectivesinmedicine.cshlp.org
P53 is a transcription factor highly inducible by many stress signals such as DNA damage,
oncogene activation, and nutrient deprivation. Cell-cycle arrest and apoptosis are the most …

[HTML][HTML] Deep learning methods in protein structure prediction

M Torrisi, G Pollastri, Q Le - Computational and Structural Biotechnology …, 2020 - Elsevier
Abstract Protein Structure Prediction is a central topic in Structural Bioinformatics. Since
the'60s statistical methods, followed by increasingly complex Machine Learning and recently …

[PDF][PDF] Intrinsically disordered protein TEX264 mediates ER-phagy

H Chino, T Hatta, T Natsume, N Mizushima - Molecular cell, 2019 - cell.com
Certain proteins and organelles can be selectively degraded by autophagy. Typical
substrates and receptors of selective autophagy have LC3-interacting regions (LIRs) that …

[HTML][HTML] A practical guide to small angle X-ray scattering (SAXS) of flexible and intrinsically disordered proteins

AG Kikhney, DI Svergun - FEBS letters, 2015 - Elsevier
Small-angle X-ray scattering (SAXS) is a biophysical method to study the overall shape and
structural transitions of biological macromolecules in solution. SAXS provides low resolution …

Continuous distributed representation of biological sequences for deep proteomics and genomics

E Asgari, MRK Mofrad - PloS one, 2015 - journals.plos.org
We introduce a new representation and feature extraction method for biological sequences.
Named bio-vectors (BioVec) to refer to biological sequences in general with protein-vectors …