T cell epitope predictions
Throughout the body, T cells monitor MHC-bound ligands expressed on the surface of
essentially all cell types. MHC ligands that trigger a T cell immune response are referred to …
essentially all cell types. MHC ligands that trigger a T cell immune response are referred to …
Principles and overview of sampling methods for modeling macromolecular structure and dynamics
Investigation of macromolecular structure and dynamics is fundamental to understanding
how macromolecules carry out their functions in the cell. Significant advances have been …
how macromolecules carry out their functions in the cell. Significant advances have been …
Pre-training protein encoder via siamese sequence-structure diffusion trajectory prediction
Self-supervised pre-training methods on proteins have recently gained attention, with most
approaches focusing on either protein sequences or structures, neglecting the exploration of …
approaches focusing on either protein sequences or structures, neglecting the exploration of …
A structure‐based benchmark for protein–protein binding affinity
We have assembled a nonredundant set of 144 protein–protein complexes that have high‐
resolution structures available for both the complexes and their unbound components, and …
resolution structures available for both the complexes and their unbound components, and …
Dynamozones are the most obvious sign of the evolution of conformational dynamics in HIV-1 protease
Proteins are not static but are flexible molecules that can adopt many different
conformations. The HIV-1 protease is an important target for the development of therapies to …
conformations. The HIV-1 protease is an important target for the development of therapies to …
New insights into protein–protein interaction modulators in drug discovery and therapeutic advance
Protein-protein interactions (PPIs) are fundamental to cellular signaling and transduction
which marks them as attractive therapeutic drug development targets. What were once …
which marks them as attractive therapeutic drug development targets. What were once …
Feeling the heat: searching for plant thermosensors
To draw the complete picture of plant thermal signaling, it is important to find the missing
links between the temperature cue, the actual sensing, and the subsequent response. In this …
links between the temperature cue, the actual sensing, and the subsequent response. In this …
100th anniversary of macromolecular science viewpoint: Synthetic protein hydrogels
Our bodies are composed of soft tissues made of various proteins. In contrast, most
hydrogels designed for biological applications are made of synthetic polymers. Recently, it is …
hydrogels designed for biological applications are made of synthetic polymers. Recently, it is …
Oncogenic K-Ras binds to an anionic membrane in two distinct orientations: a molecular dynamics analysis
K-Ras is a membrane-associated GTPase that cycles between active and inactive
conformational states to regulate a variety of cell signaling pathways. Somatic mutations in K …
conformational states to regulate a variety of cell signaling pathways. Somatic mutations in K …
Direct observation of ultrafast large-scale dynamics of an enzyme under turnover conditions
HY Aviram, M Pirchi, H Mazal, Y Barak… - Proceedings of the …, 2018 - National Acad Sciences
The functional cycle of many proteins involves large-scale motions of domains and subunits.
The relation between conformational dynamics and the chemical steps of enzymes remains …
The relation between conformational dynamics and the chemical steps of enzymes remains …