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 …
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 …
to accelerate drug discovery, but recent developments in genome sequencing, robotics and …
Droplet flow cytometry for single-cell analysis
The interrogation of single cells has revolutionised biology and medicine by providing
crucial unparalleled insights into cell-to-cell heterogeneity. Flow cytometry (including …
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 …
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 …
cardiovascular diseases, including high blood pressure, heart failure, heart attack and …
Molecular design of redox carriers for electrochemical CO 2 capture and concentration
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 …
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 …
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
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 …
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
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 …
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 …
tuberculosis. However, the rapid emergence of drug-resistant tuberculosis, together with the …