QMEANDisCo—distance constraints applied on model quality estimation

G Studer, C Rempfer, AM Waterhouse… - …, 2020 - academic.oup.com
Motivation Methods that estimate the quality of a 3D protein structure model in absence of an
experimental reference structure are crucial to determine a model's utility and potential …

VARIDT 2.0: structural variability of drug transporter

T Fu, F Li, Y Zhang, J Yin, W Qiu, X Li, X Liu… - Nucleic Acids …, 2022 - academic.oup.com
The structural variability data of drug transporter (DT) are key for research on precision
medicine and rational drug use. However, these valuable data are not sufficiently covered …

Structure and dynamics of membrane protein in SARS-CoV-2

R Mahtarin, S Islam, MJ Islam, MO Ullah… - Journal of …, 2022 - Taylor & Francis
Abstract SARS-CoV-2 membrane (M) protein performs a variety of critical functions in virus
infection cycle. However, the expression and purification of membrane protein structure is …

Estimation of model accuracy in CASP13

J Cheng, MH Choe, A Elofsson, KS Han… - Proteins: Structure …, 2019 - Wiley Online Library
Methods to reliably estimate the accuracy of 3D models of proteins are both a fundamental
part of most protein folding pipelines and important for reliable identification of the best …

Pathogenomic analyses of Shigella isolates inform factors limiting shigellosis prevention and control across LMICs

RJ Bengtsson, AJ Simpkin, CV Pulford, R Low… - Nature …, 2022 - nature.com
Shigella spp. are the leading bacterial cause of severe childhood diarrhoea in low-and
middle-income countries (LMICs), are increasingly antimicrobial resistant and have no …

The structure assessment web server: for proteins, complexes and more

AM Waterhouse, G Studer, X Robin… - Nucleic Acids …, 2024 - academic.oup.com
The 'structure assessment'web server is a one-stop shop for interactive evaluation and
benchmarking of structural models of macromolecular complexes including proteins and …

Cryo-EM structure of the fully assembled Elongator complex

M Jaciuk, D Scherf, K Kaszuba, M Gaik… - Nucleic Acids …, 2023 - academic.oup.com
Transfer RNA (tRNA) molecules are essential to decode messenger RNA codons during
protein synthesis. All known tRNAs are heavily modified at multiple positions through post …

Curcumin to inhibit binding of spike glycoprotein to ACE2 receptors: Computational modelling, simulations, and ADMET studies to explore curcuminoids against novel …

D Shanmugarajan, P Prabitha, BRP Kumar, B Suresh - RSC advances, 2020 - pubs.rsc.org
The recent emergence of the novel coronavirus (SARS-CoV-2) has raised global concern as
it is declared a pandemic by the WHO. However, to date, there is no current regimen to …

Disease-associated missense mutations in GluN2B subunit alter NMDA receptor ligand binding and ion channel properties

L Fedele, J Newcombe, M Topf, A Gibb… - Nature …, 2018 - nature.com
Genetic and bioinformatic analyses have identified missense mutations in GRIN2B encoding
the NMDA receptor GluN2B subunit in autism, intellectual disability, Lennox Gastaut and …

Current progress on equilibrative nucleoside transporter function and inhibitor design

S Rehan, S Shahid, TA Salminen… - … Life Sciences R&D, 2019 - journals.sagepub.com
Physiological nucleosides are used for the synthesis of DNA, RNA, and ATP in the cell and
serve as universal mammalian signaling molecules that regulate physiological processes …