R. Faller

Automated protein-protein structure prediction of the T cell receptor-peptide major histocompatibility complex

The paper presents a pipeline to predict TCR-pMHC structures and rank TCRs for immunotherapeutic applications using computational methods.

Production of novel Spike truncations in Chinese hamster ovary cells

The paper improves Spike protein expression in CHO cells by developing truncations that outperform full-length Spike and RBD in expression levels and antibody binding.

T Cell Receptor Non-Equilibrium Kinetics

This study shows that mutations in pMHC binding groove peptides affect TCR-pMHC bond strength and duration, correlating with immunogenicity through physiochemical features.

The Atomic-Level Physiochemical Determinants of T Cell Receptor Dissociation Kinetics

This study identifies physiochemical features of TCRs that influence dissociation kinetics using SMD and machine learning, showing hydrogen bonds in specific regions are critical for bond lifetime and immunogenicity.

SARS-Cov-2 Spike binding to ACE2 is stronger and longer ranged due to glycan interaction

The paper uses molecular dynamics simulations to show that glycosylation enhances the binding strength and range of SARS-CoV-2 Spike to ACE2 through glycan-mediated interactions.

Development and simulation of fully glycosylated molecular models of ACE2-Fc fusion proteins and their interaction with the SARS-CoV-2 spike protein binding domain

The paper develops and simulates fully glycosylated ACE2-Fc fusion proteins and their interaction with SARS-CoV-2 spike protein RBD, showing glycan effects on conformation and optimizing glycosylation modeling algorithms.