Frustrated Helicity: Joining the Diverging Ends of a Stable Aromatic Amide Helix to Form a Fluxional Macrocycle
Urushibara, Ko, Ferrand, Yann, Liu, Zhiwei, Masu, Hyuma, Pophristic, Vojislava, Tanatani, Aya, Huc, Ivan
Published in Angewandte Chemie International Edition (25.06.2018)
Published in Angewandte Chemie International Edition (25.06.2018)
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Computational Prediction and Rationalization, and Experimental Validation of Handedness Induction in Helical Aromatic Oligoamide Foldamers
Liu, Zhiwei, Hu, Xiaobo, Abramyan, Ara M., Mészáros, Ádám, Csékei, Márton, Kotschy, András, Huc, Ivan, Pophristic, Vojislava
Published in Chemistry : a European journal (13.03.2017)
Published in Chemistry : a European journal (13.03.2017)
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Characterization of Nonbiological Antimicrobial Polymers in Aqueous Solution and at Water−Lipid Interfaces from All-Atom Molecular Dynamics
Ivanov, Ivaylo, Vemparala, Satyavani, Pophristic, Vojislava, Kuroda, Kenichi, DeGrado, William F, McCammon, J. Andrew, Klein, Michael L
Published in Journal of the American Chemical Society (15.02.2006)
Published in Journal of the American Chemical Society (15.02.2006)
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Origin of Methyl Internal Rotation Barriers
Goodman, Lionel, Pophristic, Vojislava, Weinhold, Frank
Published in Accounts of chemical research (01.12.1999)
Published in Accounts of chemical research (01.12.1999)
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An ab-initio study of pyrrole and imidazole arylamides
Abramyan, Ara, Liu, Zhiwei, Pophristic, Vojislava
Published in Journal of the Serbian Chemical Society (2013)
Published in Journal of the Serbian Chemical Society (2013)
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Helical arylamide foldamers: structure prediction by molecular dynamics simulations
Liu, Zhiwei, Abramyan, Ara M., Pophristic, Vojislava
Published in New journal of chemistry (01.01.2015)
Published in New journal of chemistry (01.01.2015)
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Display Selection of a Hybrid Foldamer–Peptide Macrocycle
Dengler, Sebastian, Howard, Ryan T., Morozov, Vasily, Tsiamantas, Christos, Huang, Wei‐En, Liu, Zhiwei, Dobrzanski, Christopher, Pophristic, Vojislava, Brameyer, Sophie, Douat, Céline, Suga, Hiroaki, Huc, Ivan
Published in Angewandte Chemie International Edition (13.11.2023)
Published in Angewandte Chemie International Edition (13.11.2023)
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Helix handedness inversion in arylamide foldamers: elucidation and free energy profile of a hopping mechanismElectronic supplementary information (ESI) available: Details of the simulation setup, quantum mechanical potential energy profiles of arylamide model compounds, additional FEPs (end-to-end distance as one of the CVs, different solvents), error analysis. See DOI: 10.1039/c5cc07060k
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Accessing Improbable Foldamer Shapes with Strained Macrocycles
Urushibara, Ko, Ferrand, Yann, Liu, Zhiwei, Katagiri, Kosuke, Kawahata, Masatoshi, Morvan, Estelle, D'Elia, Ryan, Pophristic, Vojislava, Tanatani, Aya, Huc, Ivan
Published in Chemistry : a European journal (02.08.2021)
Published in Chemistry : a European journal (02.08.2021)
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Mechanistic and dynamic insights into ligand encapsulation by helical arylamide foldamers
Abramyan, Ara M, Liu, Zhiwei, Pophristic, Vojislava
Published in Physical chemistry chemical physics : PCCP (14.10.2014)
Published in Physical chemistry chemical physics : PCCP (14.10.2014)
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Stimulus-Induced Relief of Intentionally Incorporated Frustration Drives Refolding of a Water-Soluble Biomimetic Foldamer
Henriksen, Hanne C., Sowers, Adam J., Travis, Christopher R., Vulpis, Troy D., Cope, Thomas A., Ouslander, Sarah K., Russell, Alexander F., Gagné, Michel R., Pophristic, Vojislava, Liu, Zhiwei, Waters, Marcey L.
Published in Journal of the American Chemical Society (20.12.2023)
Published in Journal of the American Chemical Society (20.12.2023)
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Helical arylamide foldamers: structure prediction by molecular dynamics simulationsElectronic supplementary information (ESI) available: Percentage of helical conformation/fully H-bonded conformation; selected initial structures and snapshots from simulations; examples of MD trajectories with snapshots. Parameters in AMBER frcmod format and AMBER library files for arylamide residues are available upon request. See DOI: 10.1039/c4nj01925c
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An ab initio molecular orbital study of intramolecular hydrogen bonding in ortho-substituted arylamides: Implications for the parameterization of molecular mechanics force fields
Liu, Zhiwei, Teslja, Alexey, Pophristic, Vojislava
Published in Journal of computational chemistry (15.07.2011)
Published in Journal of computational chemistry (15.07.2011)
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Inside Cover: Computational Prediction and Rationalization, and Experimental Validation of Handedness Induction in Helical Aromatic Oligoamide Foldamers (Chem. Eur. J. 15/2017)
Liu, Zhiwei, Hu, Xiaobo, Abramyan, Ara M., Mészáros, Ádám, Csékei, Márton, Kotschy, András, Huc, Ivan, Pophristic, Vojislava
Published in Chemistry : a European journal (13.03.2017)
Published in Chemistry : a European journal (13.03.2017)
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Conformational preferences of furan- and thiophene-based arylamides: a combined computational and experimental study
GALAN, Jhenny F, CHI NGONG TANG, CHAKRABARTY, Shubhashis, ZHIWEI LIU, MOYNA, Guillermo, POPHRISTIC, Vojislava
Published in Physical chemistry chemical physics : PCCP (28.07.2013)
Published in Physical chemistry chemical physics : PCCP (28.07.2013)
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