Cryo-EM in drug discovery: achievements, limitations and prospects

JP Renaud, A Chari, C Ciferri, W Liu… - Nature reviews Drug …, 2018 - nature.com
Cryo-electron microscopy (cryo-EM) of non-crystalline single particles is a biophysical
technique that can be used to determine the structure of biological macromolecules and …

Biophysics in drug discovery: impact, challenges and opportunities

JP Renaud, C Chung, UH Danielson, U Egner… - Nature reviews Drug …, 2016 - nature.com
Over the past 25 years, biophysical technologies such as X-ray crystallography, nuclear
magnetic resonance spectroscopy, surface plasmon resonance spectroscopy and …

Boosting protein–ligand binding pose prediction and virtual screening based on residue–atom distance likelihood potential and graph transformer

C Shen, X Zhang, Y Deng, J Gao, D Wang… - Journal of Medicinal …, 2022 - ACS Publications
The past few years have witnessed enormous progress toward applying machine learning
approaches to the development of protein–ligand scoring functions. However, the robust …

Studying metabolism by NMR-based metabolomics

S Moco - Frontiers in molecular biosciences, 2022 - frontiersin.org
During the past few decades, the direct analysis of metabolic intermediates in biological
samples has greatly improved the understanding of metabolic processes. The most used …

An introduction to NMR-based approaches for measuring protein dynamics

IR Kleckner, MP Foster - Biochimica et Biophysica Acta (BBA)-Proteins and …, 2011 - Elsevier
Proteins are inherently flexible at ambient temperature. At equilibrium, they are
characterized by a set of conformations that undergo continuous exchange within a …

[KNYGA][B] High-resolution NMR techniques in organic chemistry

TDW Claridge - 2016 - books.google.com
High-Resolution NMR Techniques in Organic Chemistry, Third Edition describes the most
important NMR spectroscopy techniques for the structure elucidation of organic molecules …

Radio signals from live cells: the coming of age of in-cell solution NMR

E Luchinat, M Cremonini, L Banci - Chemical reviews, 2022 - ACS Publications
A detailed knowledge of the complex processes that make cells and organisms alive is
fundamental in order to understand diseases and to develop novel drugs and therapeutic …

Modulating protein–protein interactions: the potential of peptides

L Nevola, E Giralt - Chemical Communications, 2015 - pubs.rsc.org
Protein–protein interactions (PPIs) have emerged as important and challenging targets in
chemical biology and medicinal chemistry. The main difficulty encountered in the discovery …

Emerging principles in protease-based drug discovery

M Drag, GS Salvesen - Nature reviews Drug discovery, 2010 - nature.com
Proteases have an important role in many signalling pathways, and represent potential drug
targets for diseases ranging from cardiovascular disorders to cancer, as well as for …

An introduction to biological NMR spectroscopy

D Marion - Molecular & Cellular Proteomics, 2013 - mcponline.org
NMR spectroscopy is a powerful tool for biologists interested in the structure, dynamics, and
interactions of biological macromolecules. This review aims at presenting in an accessible …