Cryo-electron microscopy in the study of virus entry and infection
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 …
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 …
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 …
play a central role in modulating polarization, signaling, and trafficking pathways. Mutations …
Locuaz: an in silico platform for protein binders optimization
Motivation Engineering high-affinity binders targeting specific antigenic determinants
remains a challenging and often daunting task, requiring extensive experimental screening …
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 …
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 …
protein engineering has revolutionized the approach to drug discovery and development …
Anti-HCV antibodies: A battle for breadth and potency
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 …
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
Accurate binding affinity prediction is crucial to structure-based drug design. Recent work
used computational topology to obtain an effective representation of protein-ligand …
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 …
Therapeutics Page 1 i v New Computational Methods to Predict Cancer Resistance …