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The Role of Force Fields and Water Models in Protein Folding and Unfolding Dynamics.
J Chem Theory Comput. 2024 Mar 12;20(5):2321-2333. doi: 10.1021/acs.jctc.3c01106. Epub 2024 Feb 19.
J Chem Theory Comput. 2024.
PMID: 38373307
Free PMC article.
Structural Basis of the Immunological Cross-Reactivity between Kiwi and Birch Pollen.
Zeindl R, Franzmann AL, Fernández-Quintero ML, Seidler CA, Hoerschinger VJ, Liedl KR, Tollinger M.
Zeindl R, et al. Among authors: hoerschinger vj.
Foods. 2023 Oct 27;12(21):3939. doi: 10.3390/foods12213939.
Foods. 2023.
PMID: 37959058
Free PMC article.
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PEP-Patch: Electrostatics in Protein-Protein Recognition, Specificity, and Antibody Developability.
Hoerschinger VJ, Waibl F, Pomarici ND, Loeffler JR, Deane CM, Georges G, Kettenberger H, Fernández-Quintero ML, Liedl KR.
Hoerschinger VJ, et al.
J Chem Inf Model. 2023 Nov 27;63(22):6964-6971. doi: 10.1021/acs.jcim.3c01490. Epub 2023 Nov 7.
J Chem Inf Model. 2023.
PMID: 37934909
Free PMC article.
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Structure and Dynamics Guiding Design of Antibody Therapeutics and Vaccines.
Fernández-Quintero ML, Pomarici ND, Fischer AM, Hoerschinger VJ, Kroell KB, Riccabona JR, Kamenik AS, Loeffler JR, Ferguson JA, Perrett HR, Liedl KR, Han J, Ward AB.
Fernández-Quintero ML, et al. Among authors: hoerschinger vj.
Antibodies (Basel). 2023 Oct 18;12(4):67. doi: 10.3390/antib12040067.
Antibodies (Basel). 2023.
PMID: 37873864
Free PMC article.
Review.
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Grid inhomogeneous solvation theory for cross-solvation in rigid solvents.
Waibl F, Kraml J, Hoerschinger VJ, Hofer F, Kamenik AS, Fernández-Quintero ML, Liedl KR.
Waibl F, et al. Among authors: hoerschinger vj.
J Chem Phys. 2022 May 28;156(20):204101. doi: 10.1063/5.0087549.
J Chem Phys. 2022.
PMID: 35649837
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Corrigendum: Comparing Antibody Interfaces to Inform Rational Design of New Antibody Formats.
Fernández-Quintero ML, Quoika PK, Wedl FS, Seidler CA, Kroell KB, Loeffler JR, Pomarici ND, Hoerschinger VJ, Bujotzek A, Georges G, Kettenberger H, Liedl KR.
Fernández-Quintero ML, et al. Among authors: hoerschinger vj.
Front Mol Biosci. 2022 Feb 15;9:864654. doi: 10.3389/fmolb.2022.864654. eCollection 2022.
Front Mol Biosci. 2022.
PMID: 35242816
Free PMC article.
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Comparing Antibody Interfaces to Inform Rational Design of New Antibody Formats.
Fernández-Quintero ML, Quoika PK, Wedl FS, Seidler CA, Kroell KB, Loeffler JR, Pomarici ND, Hoerschinger VJ, Bujotzek A, Georges G, Kettenberger H, Liedl KR.
Fernández-Quintero ML, et al. Among authors: hoerschinger vj.
Front Mol Biosci. 2022 Jan 26;9:812750. doi: 10.3389/fmolb.2022.812750. eCollection 2022.
Front Mol Biosci. 2022.
PMID: 35155578
Free PMC article.
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VH -VL interdomain dynamics observed by computer simulations and NMR.
Fernández-Quintero ML, Hoerschinger VJ, Lamp LM, Bujotzek A, Georges G, Liedl KR.
Fernández-Quintero ML, et al. Among authors: hoerschinger vj.
Proteins. 2020 Jul;88(7):830-839. doi: 10.1002/prot.25872. Epub 2020 Jan 14.
Proteins. 2020.
PMID: 31904133
Free PMC article.
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