Computational design of highly signalling-active membrane receptors through solvent-mediated allosteric networks

K-Y. M. Chen; J. K. Lai; L. S. P. Rudden; J. Wang; A. M. Russell et al. 

Functional dynamics of G protein-coupled receptors reveal new routes for drug discovery

P. Conflitti; E. Lyman; M. S. Sansom; P. W. Hildebrand; H. Gutiérrez-de-Terán et al. 

Molecular characterization of an adhesion GPCR signal transduction using Graph-neural networks

Ca²⁺-dependent lipid preferences shape synaptotagmin-1 C2A and C2B dynamics: Insights from experiments and simulations

J. Bender; T. Kundlacz; L. S. P. Rudden; M. Frick; J. Bieber et al. 

Inducible CXCL12/CXCR4–dependent extramedullary hematopoietic niches in the adrenal gland

F. Schyrr; A. Alonso-Calleja; A. Vijaykumar; J. Sordet-Dessimoz; S. Gebhard et al. 

Antibodies expand the scope of angiotensin receptor pharmacology

M. A. Skiba; S. M. Sterling; S. Rawson; S. Zhang; H. Xu et al. 

Unravelling the components of diffuse scattering using deep learning

C. A. Fuller; L. S. P. Rudden 

From Sequence to Dynamics to Function: Computational Design of Allostery and Ligand Selectivity in G-Protein Coupled Receptors

Boosting CAR T-cell therapy through G-protein signal rewiring

AlloPool: An Adaptive Graph Neural Network for Dynamic Allosteric Network Prediction in Protein Systems

M. F. Marfoglia; L. Guirardel; P. Barth 

Computational design of dynamic receptor—peptide signaling complexes applied to chemotaxis

R. Jefferson; A. Oggier; A. Füglistaler; N. Camviel; M. Hijazi et al. 

Uncovering and engineering the mechanical properties of the adhesion GPCR ADGRG1 GAIN domain

L. Dumas; M. Marfoglia; B. Yang; M. Hijazi; A. Larabi et al. 

Designed Tumor Microenvironment Responsive Biosensors Enhance Chimeric Antigen Receptor T Cell Therapy for Cancer

J. A. Rath; L. S. Powell-Rudden; N. Nouraee; P. Barth; C. Arber 

Computationally designed GPCR quaternary structures bias signaling pathway activation

J. S. Paradis; X. Feng; B. Murat; R. E. Jefferson; B. Sokrat et al. 

Computational design of ultrasensitive flexible peptide:receptor signaling complexes for enhanced chemotaxis

R. Jefferson; A. Oggier; A. Fuglistaler; N. Camviel; M. Hijazi et al. 

Deep learning approaches for conformational flexibility and switching properties in protein design

L. S. P. Rudden; M. Hijazi; P. Barth 

Computational rewiring of allosteric pathways reprograms GPCR selective responses to ligands

D. Keri; M. Hijazi; A. Oggier; P. Barth 

Computational design of highly signaling active membrane receptors through de novo solvent-mediated allosteric networks

-Y. Chen; J. Lai; J. Wang; A. Russell; K. Conners et al. 

Computationally-guided tuning of ligand sensitivity in a GPCR-based sensor

D. Keri; R. B. Cola; Z. Kagiampaki; P. Tommaso; P. Barth 

Computationally designed GPCR quaternary structures bias signaling pathway activation

J. S. Paradis; X. Feng; B. Murat; R. Jefferson; M. Szpakowska et al. 

Computationally designed GPCR quaternary structures bias signaling pathway activation

R. Jefferson; X. Feng; P. Barth; J. Paradis; M. Bouvier et al. 

Reprogramming G Protein-Coupled Receptor Structure, Function And Signaling By Computational Design

Method for generating variants of a protein

P. Barth 

Method for generating variants of a protein

P. Barth 

Structure of a D2 dopamine receptor-G-protein complex in a lipid membrane

J. Yin; K-Y. M. Chen; M. J. Clark; M. Hijazi; P. Kumari et al. 

Macromolecular modeling and design in Rosetta: recent methods and frameworks

J. K. Leman; B. D. Weitzner; S. M. Lewis; J. Adolf-Bryfogle; N. Alam et al. 

An autism-linked missense mutation in SHANK3 reveals the modularity of Shank3 function

L. Wang; K. Pang; K. Han; C. J. Adamski; W. Wang et al. 

Computational design of G Protein-Coupled Receptor allosteric signal transductions

K-Y. M. Chen; D. Keri; P. Barth 

Reprogramming G protein coupled receptor structure and function

D. Keri; P. Barth 

Computational design of orthogonal membrane receptor-effector switches for rewiring signaling pathways

M. Young; T. Dahoun; B. Sokrat; C. Arber; K. M. Chen et al. 

Computational design of GPCR structure, stability and function

P. Barth 

Reprogramming cellular functions with engineered membrane proteins

C. Arber; M. Young; P. Barth 

Computational design of ligand-binding membrane receptors with high selectivity

X. Feng; J. Ambia; K-Y. M. Chen; M. Young; P. Barth 

Enhancing Structure Prediction and Design of Soluble and Membrane Proteins with Explicit Solvent-Protein Interactions

J. K. Lai; J. Ambia; Y. Wang; P. Barth 

Introduction of a polar core into the de novo designed protein Top7

B. Basanta; K. K. Chan; P. Barth; T. King; T. R. Sosnick et al. 

Toward high-resolution computational design of the structure and function of helical membrane proteins

P. Barth; A. Senes 

A topological and conformational stability alphabet for multipass membrane proteins

X. Feng; P. Barth 

Evolutionary-guided de novo structure prediction of self-associated transmembrane helical proteins with near-atomic accuracy

Y. Wang; P. Barth 

Survivin-specific T cell receptor targets tumor but not T cells

C. Arber; X. Feng; H. Abhyankar; E. Romero; M-F. Wu et al. 

Advances in GPCR Modeling Evaluated by the GPCR Dock 2013 Assessment: Meeting New Challenges

I. Kufareva; V. Katritch; R. Stevens; R. Abagyan