A simple open source bioinformatic methodology for initial exploration of GPCR ligands’ agonistic/antagonistic properties

2018 FDA drug approvals

(2019) Asher Mullard   NATURE REVIEWS DRUG DISCOVERY

Molecular dynamics-guided discovery of an ago-allosteric modulator for GPR40/FFAR1

(2019) Michael Lückmann et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Pharmacogenomics of GPCR Drug Targets

(2018) Alexander S. Hauser et al.   CELL

2017 FDA drug approvals

(2018) Asher Mullard   NATURE REVIEWS DRUG DISCOVERY

Subcellular Organization of GPCR Signaling

(2018) Kelsie Eichel et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Chemical Diversity in the G Protein-Coupled Receptor Superfamily

(2018) Márton Vass et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

New Insights into Modes of GPCR Activation

(2018) Wenjing Wang et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727

(2018) Nathan Robertson et al.   NATURE

Cryo-EM structure of human rhodopsin bound to an inhibitory G protein

(2018) Yanyong Kang et al.   NATURE

Structure of the adenosine-bound human adenosine A1 receptor–Gi complex

(2018) Christopher J. Draper-Joyce et al.   NATURE

Cryo-EM structure of the serotonin 5-HT1B receptor coupled to heterotrimeric Go

(2018) Javier García-Nafría et al.   NATURE

Structure of the µ-opioid receptor–Gi protein complex

(2018) Antoine Koehl et al.   NATURE

Computational design of ligand-binding membrane receptors with high selectivity

(2017) Xiang Feng et al.   Nature Chemical Biology

Trends in GPCR drug discovery: new agents, targets and indications

(2017) Alexander S. Hauser et al.   NATURE REVIEWS DRUG DISCOVERY

Antagonizing effects of membrane-acting androgens on the eicosanoid receptor OXER1 in prostate cancer

(2017) Konstantina Kalyvianaki et al.   Scientific Reports

Open source molecular modeling

(2016) Somayeh Pirhadi et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

A comprehensive map of molecular drug targets

(2016) Rita Santos et al.   NATURE REVIEWS DRUG DISCOVERY

Galaxy7TM: flexible GPCR–ligand docking by structure refinement

(2016) Gyu Rie Lee et al.   NUCLEIC ACIDS RESEARCH

ZINC 15 – Ligand Discovery for Everyone

(2015) Teague Sterling et al.   Journal of Chemical Information and Modeling

Improvements, trends, and new ideas in molecular docking: 2012-2013 in review

(2015) Elizabeth Yuriev et al.   JOURNAL OF MOLECULAR RECOGNITION

Effective protein model structure refinement by loop modeling and overall relaxation

(2015) Gyu Rie Lee et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Design and synthesis of 21-alkynylaryl pregnenolone derivatives and evaluation of their anticancer activity

(2014) György Szalóki et al.   BIOORGANIC & MEDICINAL CHEMISTRY

SWISS-MODEL: modelling protein tertiary and quaternary structure using evolutionary information

(2014) Marco Biasini et al.   NUCLEIC ACIDS RESEARCH

GalaxyDock2: Protein-ligand docking using beta-complex and global optimization

(2013) Woong-Hee Shin et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

GalaxyRefine: protein structure refinement driven by side-chain repacking

(2013) Lim Heo et al.   NUCLEIC ACIDS RESEARCH

The ChEMBL bioactivity database: an update

(2013) A. Patrícia Bento et al.   NUCLEIC ACIDS RESEARCH

Action of Molecular Switches in GPCRs - Theoretical and Experimental Studies

(2012) B. Trzaskowski et al.   CURRENT MEDICINAL CHEMISTRY

QSAR Modeling is not “Push a Button and Find a Correlation”: A Case Study of Toxicity of (Benzo-)triazoles on Algae

(2012) Paola Gramatica et al.   Molecular Informatics

Novel Oligomeric Proanthocyanidin Derivatives Interact with Membrane Androgen Sites and Induce Regression of Hormone-Independent Prostate Cancer

(2011) M. Kampa et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS

Crystal structure of the β2 adrenergic receptor–Gs protein complex

(2011) Søren G. F. Rasmussen et al.   NATURE

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

G protein-coupled receptors: novel targets for drug discovery in cancer

(2010) Rosamaria Lappano et al.   NATURE REVIEWS DRUG DISCOVERY

HexServer: an FFT-based protein docking server powered by graphics processors

(2010) G. Macindoe et al.   NUCLEIC ACIDS RESEARCH

Structure of the Human Dopamine D3 Receptor in Complex with a D2/D3 Selective Antagonist

(2010) E. Y. T. Chien et al.   SCIENCE

Structural diversity of G protein-coupled receptors and significance for drug discovery

(2008) Malin C. Lagerström et al.   NATURE REVIEWS DRUG DISCOVERY