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Computational approaches to predict protein–protein interactions in crowded cellular environments
Investigating protein–protein interactions is crucial for understanding cellular biological
processes because proteins often function within molecular complexes rather than in …
processes because proteins often function within molecular complexes rather than in …
Computational prediction of protein–protein binding affinities
Protein–protein interactions form central elements of almost all cellular processes.
Knowledge of the structure of protein–protein complexes but also of the binding affinity is of …
Knowledge of the structure of protein–protein complexes but also of the binding affinity is of …
Affinity and cooperativity modulate ternary complex formation to drive targeted protein degradation
RP Wurz, H Rui, K Dellamaggiore… - Nature …, 2023 - nature.com
Targeted protein degradation via “hijacking” of the ubiquitin-proteasome system using
proteolysis targeting chimeras (PROTACs) has evolved into a novel therapeutic modality …
proteolysis targeting chimeras (PROTACs) has evolved into a novel therapeutic modality …
The ClusPro web server for protein–protein docking
Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein–protein binding free energies and re-rank binding poses …
Understanding protein–protein interactions (PPIs) is quite important to elucidate crucial
biological processes and even design compounds that interfere with PPIs with …
biological processes and even design compounds that interfere with PPIs with …
Performance and its limits in rigid body protein-protein docking
The development of fast Fourier transform (FFT) algorithms enabled the sampling of billions
of complex conformations and thus revolutionized protein-protein docking. FFT-based …
of complex conformations and thus revolutionized protein-protein docking. FFT-based …
[HTML][HTML] MANF regulates neuronal survival and UPR through its ER-located receptor IRE1α
Mesencephalic astrocyte-derived neurotrophic factor (MANF) is an endoplasmic reticulum
(ER)-located protein with cytoprotective effects in neurons and pancreatic β cells in vitro and …
(ER)-located protein with cytoprotective effects in neurons and pancreatic β cells in vitro and …
Fragment-based identification of druggable 'hot spots' of proteins using Fourier domain correlation techniques
Motivation: The binding sites of proteins generally contain smaller regions that provide major
contributions to the binding free energy and hence are the prime targets in drug design …
contributions to the binding free energy and hence are the prime targets in drug design …