Computational modeling and prediction of deletion mutants. Structure, (31)6:713--723.e3, Elsevier BV, June 2023. [PUMA: AlphaFold Deletion Modeling NMR Rosetta SAM domain indel mutation zno]
Modeling of protein conformational changes with Rosetta guided by limited experimental data. Structure, (30)8:1157--1168.e3, Elsevier BV, August 2022. [PUMA: EPR Rosetta biology changes conformational dynamics integrative modeling molecular protein refinement spectroscopy structural structure topic_lifescience zno]
RosettaCM for antibodies with very long HCDR3s and low template availability. Proteins, (89)11:1458--1472, Wiley, November 2021. [PUMA: Rosetta antibody benchmark homology loop modeling prediction structure topic_lifescience zno]
Veratridine can bind to a site at the mouth of the channel pore at human cardiac sodium channel NaV1.5. Int. J. Mol. Sci., (23)4:2225, MDPI AG, February 2022. [PUMA: Rosetta SCN5A cardiac channels docking electrophysiology molecular mutagenesis site-directed sodium topic_lifescience toxins veratridine voltage-gated zno]
The human antibody sequence space and structural design of the V, J regions, and CDRH3 with Rosetta. MAbs, (14)1:2068212, Informa UK Limited, January 2022. [PUMA: Human-likeness HumanizationABBREVIATIONS antibody biostatistics design immunome repertoire rosetta topic_lifescience zno]
Sparse pseudocontact shift NMR data obtained from a non-canonical amino acid-linked lanthanide tag improves integral membrane protein structure prediction. J. Biomol. NMR, (77)3:69--82, June 2023. [PUMA: (IMPs) (PCSs) (ncAAs) Click Integral Non-canonical Pseudocontact Rosetta Structure acids amino chemistry membrane prediction proteins shifts topic_lifescience zno]