The 7 TM G‐protein‐coupled receptor target family

E Jacoby, R Bouhelal, M Gerspacher… - ChemMedChem …, 2006 - Wiley Online Library
Chemical biology approaches have a long history in the exploration of the G‐protein‐
coupled receptor (GPCR) family, which represents the largest and most important group of …

Keynote review: Structural biology and drug discovery

M Congreve, CW Murray, TL Blundell - Drug discovery today, 2005 - Elsevier
It has long been recognized that knowledge of the 3D structures of proteins has the potential
to accelerate drug discovery, but recent developments in genome sequencing, robotics and …

Droplet flow cytometry for single-cell analysis

M Li, H Liu, S Zhuang, K Goda - RSC advances, 2021 - pubs.rsc.org
The interrogation of single cells has revolutionised biology and medicine by providing
crucial unparalleled insights into cell-to-cell heterogeneity. Flow cytometry (including …

A probability-based approach for the analysis of large-scale RNAi screens

R König, C Chiang, BP Tu, SF Yan, PD DeJesus… - Nature …, 2007 - nature.com
We describe a statistical analysis methodology designed to minimize the impact of off-target
activities upon large-scale RNA interference (RNAi) screens in mammalian cells. Application …

Ace revisited: a new target for structure-based drug design

KR Acharya, ED Sturrock, JF Riordan… - Nature Reviews Drug …, 2003 - nature.com
Current-generation angiotensin-converting enzyme (ACE) inhibitors are widely used for
cardiovascular diseases, including high blood pressure, heart failure, heart attack and …

Molecular design of redox carriers for electrochemical CO 2 capture and concentration

JM Barlow, LE Clarke, Z Zhang, D Bím… - Chemical Society …, 2022 - pubs.rsc.org
Developing improved methods for CO2 capture and concentration (CCC) is essential to
mitigating the impact of our current emissions and can lead to carbon net negative …

State-of-the-art in ligand-based virtual screening

P Ripphausen, B Nisius, J Bajorath - Drug discovery today, 2011 - Elsevier
Virtual screening is a much discussed topic in chemoinformatics and medicinal chemistry,
and widely applied in pharmaceutical research. Here, we provide an in-depth analysis of …

Large-scale quantitative structure–property relationship (QSPR) analysis of methane storage in metal–organic frameworks

M Fernandez, TK Woo, CE Wilmer… - The Journal of Physical …, 2013 - ACS Publications
Metal–organic frameworks (MOFs) present a combinatorial design challenge. The structural
building blocks of MOFs can be combined to synthesize a nearly infinite number of …

A multi-fidelity machine learning approach to high throughput materials screening

C Fare, P Fenner, M Benatan, A Varsi… - npj Computational …, 2022 - nature.com
The ever-increasing capability of computational methods has resulted in their general
acceptance as a key part of the materials design process. Traditionally this has been …

Recent advancements in the development of anti-tuberculosis drugs

S Chetty, M Ramesh, A Singh-Pillay… - Bioorganic & medicinal …, 2017 - Elsevier
Modern chemotherapy has significantly improved patient outcomes against drug-sensitive
tuberculosis. However, the rapid emergence of drug-resistant tuberculosis, together with the …