Publications

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Computer-Aided Drug Design: An Update.
Yu W, Weber DJ, MacKerell AD. 2023. Computer-Aided Drug Design: An Update. Methods in molecular biology (Clifton, N.J.) 2601: 123-152. DOI: 10.1007/978-1-0716-2855-3_7
Biomotors, viral assembly, and RNA nanobiotechnology: Current achievements and future directions.
Rolband L, Beasock D, Wang Y, Shu YG, Dinman JD, Schlick T, Zhou Y, Kieft JS, Chen SJ, Bussi G, et al. 2022. Biomotors, viral assembly, and RNA nanobiotechnology: Current achievements and future directions. Computational and structural biotechnology journal 20: 6120-6137. DOI: 10.1016/j.csbj.2022.11.007
Assessing Antigen-Adjuvant Complex Stability Against Physical Stresses By wNMR.
Taraban MB, Briggs KT, Yu YB, Jones MT, Rosner L, Bhambhani A, Williams DM, Farrell C, Reibarkh M, Su Y. 2022. Assessing Antigen-Adjuvant Complex Stability Against Physical Stresses By wNMR. Pharmaceutical research : . DOI: 10.1007/s11095-022-03437-1
Cooperative binding of T cell receptor and CD4 to peptide-MHC enhances antigen sensitivity.
Rushdi MN, Pan V, Li K, Choi HK, Travaglino S, Hong J, Griffitts F, Agnihotri P, Mariuzza RA, Ke Y, et al. 2022. Cooperative binding of T cell receptor and CD4 to peptide-MHC enhances antigen sensitivity. Nature communications 13(1): 7055. DOI: 10.1038/s41467-022-34587-w
A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking.
Trewhella J, Vachette P, Bierma J, Blanchet C, Brookes E, Chakravarthy S, Chatzimagas L, Cleveland TE, Cowieson N, Crossett B, et al. 2022. A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking. Acta crystallographica. Section D, Structural biology 78(Pt 11): 1315-1336. DOI: 10.1107/S2059798322009184
Enhanced electrochemical measurement of β-galactosidase activity in whole cells by coexpression of lactose permease, LacY.
VanArsdale E, Pitzer J, Wang S, Stephens K, Chen CY, Payne GF, Bentley WE. 2022. Enhanced electrochemical measurement of β-galactosidase activity in whole cells by coexpression of lactose permease, LacY. BioTechniques : . DOI: 10.2144/btn-2022-0090
Unravelling viral dynamics through molecular dynamics simulations - A brief overview.
Borkotoky S, Dey D, Hazarika Z, Joshi A, Tripathi K. 2022. Unravelling viral dynamics through molecular dynamics simulations - A brief overview. Biophysical chemistry 291: 106908. DOI: 10.1016/j.bpc.2022.106908
Factors Controlling Degradation of Biologically Relevant Synthetic Polymers in Solution and Solid State.
Brito J, Andrianov AK, Sukhishvili SA. 2022. Factors Controlling Degradation of Biologically Relevant Synthetic Polymers in Solution and Solid State. ACS applied bio materials : . DOI: 10.1021/acsabm.2c00694
Single Step Assembly of Janus Porous Biomaterial by Sub-Ambient Temperature Electrodeposition.
Lei M, Liao H, Wang S, Zhou H, Zhao Z, Payne GF, Qu X, Liu C. 2022. Single Step Assembly of Janus Porous Biomaterial by Sub-Ambient Temperature Electrodeposition. Small (Weinheim an der Bergstrasse, Germany) : e2204837. DOI: 10.1002/smll.202204837
Spectral Similarity: Full-Wavelength Range Calibration of Circular Dichroism Spectroscopy.
Meuse CW, Rubinson KA. 2022. Spectral Similarity: Full-Wavelength Range Calibration of Circular Dichroism Spectroscopy. Applied spectroscopy : 37028221134128. DOI: 10.1177/00037028221134128
Structural Fingerprinting of Antisense Oligonucleotide Therapeutics by Solution NMR Spectroscopy.
Becette OB, Marino JP, Brinson RG. 2022. Structural Fingerprinting of Antisense Oligonucleotide Therapeutics by Solution NMR Spectroscopy. Pharmaceutical research : . DOI: 10.1007/s11095-022-03403-x
Mucosal nanobody IgA as inhalable and affordable prophylactic and therapeutic treatment against SARS-CoV-2 and emerging variants.
Li Q, Humphries F, Girardin RC, Wallace A, Ejemel M, Amcheslavsky A, McMahon CT, Schiller ZA, Ma Z, Cruz J, et al. 2022. Mucosal nanobody IgA as inhalable and affordable prophylactic and therapeutic treatment against SARS-CoV-2 and emerging variants. Frontiers in immunology 13: 995412. DOI: 10.3389/fimmu.2022.995412
Antibody interfaces revealed through structural mining.
Yin Y, Romei MG, Sankar K, Pal LR, Hoi KH, Yang Y, Leonard B, De Leon Boenig G, Kumar N, Matsumoto M, et al. 2022. Antibody interfaces revealed through structural mining. Computational and structural biotechnology journal 20: 4952-4968. DOI: 10.1016/j.csbj.2022.08.048
Response to: Lack of evidence for ribosomal frameshifting in ATP7B mRNA decoding.
Meydan S, Klepacki D, Karthikeyan S, Margus T, Thomas P, Jones JE, Khan YA, Briggs J, Dinman JD, Vázquez-Laslop N, et al. 2022. Response to: Lack of evidence for ribosomal frameshifting in ATP7B mRNA decoding. Molecular cell 82(19): 3523. DOI: 10.1016/j.molcel.2022.08.025
Scaffold hopping from indoles to indazoles yields dual MCL-1/BCL-2 inhibitors from MCL-1 selective leads.
Drennen B, Goodis CC, Bowen N, Yu W, Vickers G, Wilder PT, MacKerell AD, Fletcher S. 2022. Scaffold hopping from indoles to indazoles yields dual MCL-1/BCL-2 inhibitors from MCL-1 selective leads. RSC medicinal chemistry 13(8): 963-969. DOI: 10.1039/d2md00095d