CHARMM at 45: Enhancements in accessibility, functionality, and speed

W Hwang, SL Austin, A Blondel… - The Journal of …, 2024 - ACS Publications
Since its inception nearly a half century ago, CHARMM has been playing a central role in
computational biochemistry and biophysics. Commensurate with the developments in …

Quantitative approaches for decoding the specificity of the human T cell repertoire

ZS Ghoreyshi, JT George - Frontiers in Immunology, 2023 - frontiersin.org
T cell receptor (TCR)-peptide-major histocompatibility complex (pMHC) interactions play a
vital role in initiating immune responses against pathogens, and the specificity of TCRpMHC …

Tuning T cell receptor sensitivity through catch bond engineering

X Zhao, EM Kolawole, W Chan, Y Feng, X Yang… - Science, 2022 - science.org
Adoptive cell therapy using engineered T cell receptors (TCRs) is a promising approach for
targeting cancer antigens, but tumor-reactive TCRs are often weakly responsive to their …

Mechanical force matters in early T cell activation

M Fritzsche, K Kruse - Proceedings of the National Academy of Sciences, 2024 - pnas.org
Mechanical force has repeatedly been highlighted to be involved in T cell activation.
However, the biological significance of mechanical force for T cell receptor signaling …

Mechanobiology of T cell activation: to catch a bond

B Liu, EM Kolawole, BD Evavold - Annual Review of Cell and …, 2021 - annualreviews.org
T cell activation is a critical event in the adaptive immune response, indispensable for cell-
mediated and humoral immunity as well as for immune regulation. Recent years have …

Force-induced site-specific enzymatic cleavage probes reveal that serial mechanical engagement boosts T cell activation

J Rogers, R Ma, A Foote, Y Hu… - Journal of the American …, 2024 - ACS Publications
The T cell membrane is studded with> 104 T cell receptors (TCRs) that are used to scan
target cells to identify short peptide fragments associated with viral infection or cancerous …

Harnessing αβ T cell receptor mechanobiology to achieve the promise of immuno-oncology

EL Reinherz, W Hwang… - Proceedings of the …, 2023 - National Acad Sciences
T cell receptors (TCR) on cytolytic T lymphocytes (CTLs) recognize" foreign" antigens bound
in the groove of major histocompatibility complex (MHC) molecules (H-2 in mouse and HLA …

Catch bond models may explain how force amplifies TCR signaling and antigen discrimination

HK Choi, P Cong, C Ge, A Natarajan, B Liu… - Nature …, 2023 - nature.com
The TCR integrates forces in its triggering process upon interaction with pMHC. Force elicits
TCR catch-slip bonds with strong pMHCs but slip-only bonds with weak pMHCs. We …

Mechanotransduction as a major driver of cell behaviour: Mechanisms, and relevance to cell organization and future research

PH Puech, P Bongrand - Open Biology, 2021 - royalsocietypublishing.org
How do cells process environmental cues to make decisions? This simple question is still
generating much experimental and theoretical work, at the border of physics, chemistry and …

Dynamic allostery in the peptide/MHC complex enables TCR neoantigen selectivity

J Ma, CM Ayres, CA Brambley, SS Chandran… - Nature …, 2025 - nature.com
The inherent antigen cross-reactivity of the T cell receptor (TCR) is balanced by high
specificity. Surprisingly, TCR specificity often manifests in ways not easily interpreted from …