Publications

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hERG Blockade Prediction by Combining Site Identification by Ligand Competitive Saturation and Physicochemical Properties.
Goel H, Yu W, MacKerell AD. 2022. hERG Blockade Prediction by Combining Site Identification by Ligand Competitive Saturation and Physicochemical Properties. Chemistry (Basel, Switzerland) 4(3): 630-646. DOI: 10.3390/chemistry4030045
DOTAP: STRUCTURE, HYDRATION, AND THE COUNTERION EFFECT.
Mihailescu M, Worcester DL, Carroll CL, Chamberlin AR, White SH. 2023. DOTAP: STRUCTURE, HYDRATION, AND THE COUNTERION EFFECT. Biophysical journal : . DOI: 10.1016/j.bpj.2023.01.031
Design and characterization of a protein fold switching network.
Ruan B, He Y, Chen Y, Choi EJ, Chen Y, Motabar D, Solomon T, Simmerman R, Kauffman T, Gallagher DT, et al. 2023. Design and characterization of a protein fold switching network. Nature communications 14(1): 431. DOI: 10.1038/s41467-023-36065-3
Murine Toxicology and Pharmacokinetics of Lead Next Generation Galeterone Analog, VNPP433-3β.
Thomas E, Thankan RS, Purushottamachar P, Guo J, Parise RA, Beumer JH, Njar VCO. 2023. Murine Toxicology and Pharmacokinetics of Lead Next Generation Galeterone Analog, VNPP433-3β. Steroids : 109184. DOI: 10.1016/j.steroids.2023.109184
Construction of a genome-wide genetic linkage map and identification of quantitative trait loci for powdery mildew resistance in Gerbera daisy.
Bhattarai K, Sharma S, Verma S, Peres NA, Xiao S, Clark DG, Deng Z. 2022. Construction of a genome-wide genetic linkage map and identification of quantitative trait loci for powdery mildew resistance in <i>Gerbera</i> daisy. Frontiers in plant science 13: 1072717. DOI: 10.3389/fpls.2022.1072717
Correlated analytical and functional evaluation of higher order structure perturbations from oxidation of NISTmAb.
Solomon TL, Delaglio F, Giddens JP, Marino JP, Yu YB, Taraban MB, Brinson RG. 2023. Correlated analytical and functional evaluation of higher order structure perturbations from oxidation of NISTmAb. mAbs 15(1): 2160227. DOI: 10.1080/19420862.2022.2160227
Reversible switching between two common protein folds in a designed system using only temperature.
Solomon TL, He Y, Sari N, Chen Y, Gallagher DT, Bryan PN, Orban J. 2023. Reversible switching between two common protein folds in a designed system using only temperature. Proceedings of the National Academy of Sciences of the United States of America 120(4): e2215418120. DOI: 10.1073/pnas.2215418120
Skin Vaccination with Ebola Virus Glycoprotein Using a Polyphosphazene-Based Microneedle Patch Protects Mice against Lethal Challenge.
Romanyuk A, Wang R, Marin A, Janus BM, Felner EI, Xia D, Goez-Gazi Y, Alfson KJ, Yunus AS, Toth EA, et al. 2022. Skin Vaccination with Ebola Virus Glycoprotein Using a Polyphosphazene-Based Microneedle Patch Protects Mice against Lethal Challenge. Journal of functional biomaterials 14(1): . DOI: 10.3390/jfb14010016
Polymer-Based Drug Delivery Systems Under Investigation For Enzyme Replacement And Other Therapies Of Lysosomal Storage Disorders.
Placci M, Giannotti MI, Muro S. 2023. Polymer-Based Drug Delivery Systems Under Investigation For Enzyme Replacement And Other Therapies Of Lysosomal Storage Disorders. Advanced drug delivery reviews : 114683. DOI: 10.1016/j.addr.2022.114683
Characterizing inhibitors of human AP endonuclease 1.
Pidugu LS, Servius HW, Sevdalis SE, Cook ME, Varney KM, Pozharski E, Drohat AC. 2023. Characterizing inhibitors of human AP endonuclease 1. PloS one 18(1): e0280526. DOI: 10.1371/journal.pone.0280526
Extended q-range X-ray Scattering Reveals High-Resolution Structural Details of Biomacromolecules in Aqueous Solutions.
Chen J, Borkiewicz OJ, Grishaev AV, Zhang F, Bera MK, Ruett U, Levin I. 2023. Extended q-range X-ray Scattering Reveals High-Resolution Structural Details of Biomacromolecules in Aqueous Solutions. Chemistry (Weinheim an der Bergstrasse, Germany) : . DOI: 10.1002/chem.202203551
Genetic approaches to dissect plant nonhost resistance mechanisms.
Wu Y, Sexton W, Yang B, Xiao S. 2023. Genetic approaches to dissect plant nonhost resistance mechanisms. Molecular plant pathology : . DOI: 10.1111/mpp.13290
Glycosidic α-linked mannopyranose disaccharides: an NMR spectroscopy and molecular dynamics simulation study employing additive and Drude polarizable force fields.
Ruda A, Aytenfisu AH, Angles d'Ortoli T, MacKerell AD, Widmalm G. 2023. Glycosidic α-linked mannopyranose disaccharides: an NMR spectroscopy and molecular dynamics simulation study employing additive and Drude polarizable force fields. Physical chemistry chemical physics : PCCP : . DOI: 10.1039/d2cp05203b
In situ cryo-electron tomography reveals the asymmetric architecture of mammalian sperm axonemes.
Chen Z, Greenan GA, Shiozaki M, Liu Y, Skinner WM, Zhao X, Zhao S, Yan R, Yu Z, Lishko PV, et al. 2023. In situ cryo-electron tomography reveals the asymmetric architecture of mammalian sperm axonemes. Nature structural & molecular biology 30(3): 360-369. DOI: 10.1038/s41594-022-00861-0
Highly stable, antiviral, antibacterial cotton textiles via molecular engineering.
Qian J, Dong Q, Chun K, Zhu D, Zhang X, Mao Y, Culver JN, Tai S, German JR, Dean DP, et al. 2022. Highly stable, antiviral, antibacterial cotton textiles via molecular engineering. Nature nanotechnology : . DOI: 10.1038/s41565-022-01278-y