[PDF][PDF] Molecular dynamics simulation for all

SA Hollingsworth, RO Dror - Neuron, 2018 - cell.com
The impact of molecular dynamics (MD) simulations in molecular biology and drug discovery
has expanded dramatically in recent years. These simulations capture the behavior of …

A guide to chemokines and their receptors

CE Hughes, RJB Nibbs - The FEBS journal, 2018 - Wiley Online Library
The chemokines (or chemotactic cytokines) are a large family of small, secreted proteins that
signal through cell surface G protein‐coupled heptahelical chemokine receptors. They are …

Mechanisms of signalling and biased agonism in G protein-coupled receptors

D Wootten, A Christopoulos, M Marti-Solano… - … reviews Molecular cell …, 2018 - nature.com
G protein-coupled receptors (GPCRs) are the largest group of cell surface receptors in
humans that signal in response to diverse inputs and regulate a plethora of cellular …

Biased signalling: from simple switches to allosteric microprocessors

JS Smith, RJ Lefkowitz, S Rajagopal - Nature reviews Drug discovery, 2018 - nature.com
G protein-coupled receptors (GPCRs) are the largest class of receptors in the human
genome and some of the most common drug targets. It is now well established that GPCRs …

Targeting the CCL2–CCR2 axis for atheroprotection

MK Georgakis, J Bernhagen, LH Heitman… - European heart …, 2022 - academic.oup.com
Decades of research have established atherosclerosis as an inflammatory disease. Only
recently though, clinical trials provided proof-of-concept evidence for the efficacy of anti …

GPCR dynamics: structures in motion

NR Latorraca, AJ Venkatakrishnan, RO Dror - Chemical reviews, 2017 - ACS Publications
The function of G protein-coupled receptors (GPCRs) which represent the largest class of
both human membrane proteins and drug targets depends critically on their ability to …

Structural basis of CXC chemokine receptor 2 activation and signalling

K Liu, L Wu, S Yuan, M Wu, Y Xu, Q Sun, S Li, S Zhao… - Nature, 2020 - nature.com
Chemokines and their receptors mediate cell migration, which influences multiple
fundamental biological processes and disease conditions such as inflammation and cancer …

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 …

The molecular basis of G protein–coupled receptor activation

WI Weis, BK Kobilka - Annual review of biochemistry, 2018 - annualreviews.org
G protein–coupled receptors (GPCRs) mediate the majority of cellular responses to external
stimuli. Upon activation by a ligand, the receptor binds to a partner heterotrimeric G protein …

[HTML][HTML] Advances in therapeutic peptides targeting G protein-coupled receptors

AP Davenport, CCG Scully, C de Graaf… - Nature Reviews Drug …, 2020 - nature.com
Dysregulation of peptide-activated pathways causes a range of diseases, fostering the
discovery and clinical development of peptide drugs. Many endogenous peptides activate G …