Fast and versatile sequence-independent protein docking for nanomaterials design using RPXDock

W Sheffler, EC Yang, Q Dowling, Y Hsia… - PLOS Computational …, 2023 - journals.plos.org
Computationally designed multi-subunit assemblies have shown considerable promise for a
variety of applications, including a new generation of potent vaccines. One of the major …

Common framework mutations impact antibody interfacial dynamics and flexibility

ER Rhodes, JG Faris, BM Petersen… - Frontiers in …, 2023 - frontiersin.org
Introduction With the flood of engineered antibodies, there is a heightened need to elucidate
the structural features of antibodies that contribute to specificity, stability, and breadth. While …

Design of four component T= 4 tetrahedral, octahedral, and icosahedral protein nanocages through programmed symmetry breaking

S Lee, RD Kibler, Y Hsia, AJ Borst, A Philomin… - bioRxiv, 2023 - biorxiv.org
Four, eight or twenty C3 symmetric protein trimers can be arranged with tetrahedral (T-sym),
octahedral (O-sym) or icosahedral (I-sym) point group symmetry to generate closed cage …

Blueprinting expandable nanomaterials with standardized protein building blocks

TF Huddy, Y Hsia, RD Kibler, J Xu, N Bethel… - bioRxiv, 2023 - biorxiv.org
A wooden house frame consists of many different lumber pieces, but because of the
regularity of these building blocks, the structure can be designed using straightforward …

Harnessing Computational Approaches to Engineer Protein Flexibility for Immunological Applications

ER Rhodes - 2024 - search.proquest.com
Molecular Dynamics (MD) simulations have been extensively employed to investigate
protein dynamics. In this context, MD simulations aim to understand intra-and inter …