I-TASSER-MTD: a deep-learning-based platform for multi-domain protein structure and function prediction

X Zhou, W Zheng, Y Li, R Pearce, C Zhang, EW Bell… - Nature …, 2022 - nature.com
Most proteins in cells are composed of multiple folding units (or domains) to perform
complex functions in a cooperative manner. Relative to the rapid progress in single-domain …

The trRosetta server for fast and accurate protein structure prediction

Z Du, H Su, W Wang, L Ye, H Wei, Z Peng… - Nature protocols, 2021 - nature.com
The trRosetta (transform-restrained Rosetta) server is a web-based platform for fast and
accurate protein structure prediction, powered by deep learning and Rosetta. With the input …

Before and after AlphaFold2: An overview of protein structure prediction

LMF Bertoline, AN Lima, JE Krieger… - Frontiers in …, 2023 - frontiersin.org
Three-dimensional protein structure is directly correlated with its function and its
determination is critical to understanding biological processes and addressing human …

[HTML][HTML] Advances in protein structure prediction and design

B Kuhlman, P Bradley - Nature reviews molecular cell biology, 2019 - nature.com
The prediction of protein three-dimensional structure from amino acid sequence has been a
grand challenge problem in computational biophysics for decades, owing to its intrinsic …

Pervasive functional translation of noncanonical human open reading frames

J Chen, AD Brunner, JZ Cogan, JK Nuñez, AP Fields… - Science, 2020 - science.org
Ribosome profiling has revealed pervasive but largely uncharacterized translation outside of
canonical coding sequences (CDSs). In this work, we exploit a systematic CRISPR-based …

ProMod3—A versatile homology modelling toolbox

G Studer, G Tauriello, S Bienert, M Biasini… - PLoS computational …, 2021 - journals.plos.org
Computational methods for protein structure modelling are routinely used to complement
experimental structure determination, thus they help to address a broad spectrum of …

[HTML][HTML] CADD, AI and ML in drug discovery: A comprehensive review

D Vemula, P Jayasurya, V Sushmitha, YN Kumar… - European Journal of …, 2023 - Elsevier
Computer-aided drug design (CADD) is an emerging field that has drawn a lot of interest
because of its potential to expedite and lower the cost of the drug development process …

Fast and flexible protein design using deep graph neural networks

A Strokach, D Becerra, C Corbi-Verge, A Perez-Riba… - Cell systems, 2020 - cell.com
Protein structure and function is determined by the arrangement of the linear sequence of
amino acids in 3D space. We show that a deep graph neural network, ProteinSolver, can …

Antidiabetic potential of medicinal plants and their active components

B Salehi, A Ata, N V. Anil Kumar, F Sharopov… - Biomolecules, 2019 - mdpi.com
Diabetes mellitus is one of the major health problems in the world, the incidence and
associated mortality are increasing. Inadequate regulation of the blood sugar imposes …

Nsp3 of coronaviruses: Structures and functions of a large multi-domain protein

J Lei, Y Kusov, R Hilgenfeld - Antiviral research, 2018 - Elsevier
The multi-domain non-structural protein 3 (Nsp3) is the largest protein encoded by the
coronavirus (CoV) genome, with an average molecular mass of about 200 kD. Nsp3 is an …