[HTML][HTML] A review on applications of computational methods in drug screening and design

X Lin, X Li, X Lin - Molecules, 2020 - mdpi.com
Drug development is one of the most significant processes in the pharmaceutical industry.
Various computational methods have dramatically reduced the time and cost of drug …

Natural food colorants and preservatives: A review, a demand, and a challenge

C Novais, AK Molina, RMV Abreu… - Journal of agricultural …, 2022 - ACS Publications
The looming urgency of feeding the growing world population along with the increasing
consumers' awareness and expectations have driven the evolution of food production …

RNA structural dynamics as captured by molecular simulations: a comprehensive overview

J Sponer, G Bussi, M Krepl, P Banáš, S Bottaro… - Chemical …, 2018 - ACS Publications
With both catalytic and genetic functions, ribonucleic acid (RNA) is perhaps the most
pluripotent chemical species in molecular biology, and its functions are intimately linked to …

[HTML][HTML] Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination

L Krause, R Herbst-Irmer, GM Sheldrick… - Journal of applied …, 2015 - scripts.iucr.org
The quality of diffraction data obtained using silver and molybdenum microsources has been
compared for six model compounds with a wide range of absorption factors. The …

How macrolide antibiotics work

N Vázquez-Laslop, AS Mankin - Trends in biochemical sciences, 2018 - cell.com
Macrolide antibiotics inhibit protein synthesis by targeting the bacterial ribosome. They bind
at the nascent peptide exit tunnel and partially occlude it. Thus, macrolides have been …

The macrolide antibiotic renaissance

GP Dinos - British journal of pharmacology, 2017 - Wiley Online Library
Macrolides represent a large family of protein synthesis inhibitors of great clinical interest
due to their applicability to human medicine. Macrolides are composed of a macrocyclic …

Multiscale simulations of biological membranes: the challenge to understand biological phenomena in a living substance

G Enkavi, M Javanainen, W Kulig, T Róg… - Chemical …, 2019 - ACS Publications
Biological membranes are tricky to investigate. They are complex in terms of molecular
composition and structure, functional over a wide range of time scales, and characterized by …

Enhanced sampling techniques in molecular dynamics simulations of biological systems

RC Bernardi, MCR Melo, K Schulten - Biochimica et Biophysica Acta (BBA) …, 2015 - Elsevier
Background Molecular dynamics has emerged as an important research methodology
covering systems to the level of millions of atoms. However, insufficient sampling often limits …

Molecular dynamics simulations of large macromolecular complexes

JR Perilla, BC Goh, CK Cassidy, B Liu… - Current opinion in …, 2015 - Elsevier
Connecting dynamics to structural data from diverse experimental sources, molecular
dynamics simulations permit the exploration of biological phenomena in unparalleled detail …

[HTML][HTML] Genome-wide survey of ribosome collision

P Han, Y Shichino, T Schneider-Poetsch, M Mito… - Cell Reports, 2020 - cell.com
Ribosome movement is not always smooth and is rather often impeded. For ribosome
pauses, fundamental issues remain to be addressed, including where ribosomes pause on …