Cryo-electron microscopy in the study of virus entry and infection

M Dutta, P Acharya - Frontiers in Molecular Biosciences, 2024 - frontiersin.org
Viruses have been responsible for many epidemics and pandemics that have impacted
human life globally. The COVID-19 pandemic highlighted both our vulnerability to viral …

Structural development of the HIV-1 apex-directed PGT145-PGDM1400 antibody lineage

RD Mason, B Zhang, NC Morano, CH Shen, K McKee… - Cell Reports, 2025 - cell.com
Broadly neutralizing antibodies (bNAbs) targeting the apex of the HIV-1-envelope (Env)
trimer comprise the most potent category of HIV-1 bNAbs and have emerged as promising …

DexDesign: an OSPREY-based algorithm for designing de novo D-peptide inhibitors

N Guerin, H Childs, P Zhou… - … Engineering, Design and …, 2024 - academic.oup.com
With over 270 unique occurrences in the human genome, peptide-recognizing PDZ domains
play a central role in modulating polarization, signaling, and trafficking pathways. Mutations …

Locuaz: an in silico platform for protein binders optimization

GP Barletta, R Tandiana, M Soler, S Fortuna… - …, 2024 - academic.oup.com
Motivation Engineering high-affinity binders targeting specific antigenic determinants
remains a challenging and often daunting task, requiring extensive experimental screening …

Protocol for Designing De Novo Noncanonical Peptide Binders in OSPREY

H Childs, N Guerin, P Zhou… - Journal of Computational …, 2024 - liebertpub.com
D-peptides, the mirror image of canonical L-peptides, offer numerous biological advantages
that make them effective therapeutics. This article details how to use DexDesign, the newest …

From Deep Generative Models to Structure-Based Simulations: Computational Approaches for Antibody Design

D Kuroda - Biopharmaceutical Informatics, 2025 - taylorfrancis.com
In the rapidly evolving field of biotherapeutics, the intersection of computational science and
protein engineering has revolutionized the approach to drug discovery and development …

Anti-HCV antibodies: A battle for breadth and potency

E Jamali, AA Quadeer, N Tedla, MR McKay, A Lloyd… - 2025 - researchsquare.com
Potent and broadly neutralizing antibodies (NAbs) are important for clearance of RNA virus
infections. However, NAbs generated in response to RNA viruses exhibit diverse profiles of …

Predicting Affinity Through Homology (PATH): Interpretable Binding Affinity Prediction with Persistent Homology

Y Long, B Donald - bioRxiv, 2023 - biorxiv.org
Accurate binding affinity prediction is crucial to structure-based drug design. Recent work
used computational topology to obtain an effective representation of protein-ligand …

[PDF][PDF] New Computational Methods to Predict Cancer Resistance Mutations and Design D-Peptide Therapeutics

N Guerin - 2023 - textpla.in
New Computational Methods to Predict Cancer Resistance Mutations and Design D-Peptide
Therapeutics Page 1 i v New Computational Methods to Predict Cancer Resistance …

[TRÍCH DẪN][C] Nicodemus Tedla 2 Matthew R. McKay 3, 4 Andrew Lloyd 1 Melanie Walker 1, 2 Rowena A. Bull 1, 2