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Page 1
Per|Mut: Spatially Resolved Hydration Entropies from Atomistic Simulations.
J Chem Theory Comput. 2021 Apr 13;17(4):2090-2098. doi: 10.1021/acs.jctc.0c00961. Epub 2021 Mar 12.
J Chem Theory Comput. 2021.
PMID: 33710881
Free PMC article.
Computing Spatially Resolved Rotational Hydration Entropies from Atomistic Simulations.
Heinz LP, Grubmüller H.
Heinz LP, et al.
J Chem Theory Comput. 2020 Jan 14;16(1):108-118. doi: 10.1021/acs.jctc.9b00926. Epub 2019 Dec 24.
J Chem Theory Comput. 2020.
PMID: 31822062
Free article.
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Spatially resolved free-energy contributions of native fold and molten-globule-like Crambin.
Heinz LP, Grubmüller H.
Heinz LP, et al.
Biophys J. 2021 Aug 17;120(16):3470-3482. doi: 10.1016/j.bpj.2021.05.019. Epub 2021 Jun 2.
Biophys J. 2021.
PMID: 34087209
Free PMC article.
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Tight docking of membranes before fusion represents a metastable state with unique properties.
Witkowska A, Heinz LP, Grubmüller H, Jahn R.
Witkowska A, et al. Among authors: heinz lp.
Nat Commun. 2021 Jun 14;12(1):3606. doi: 10.1038/s41467-021-23722-8.
Nat Commun. 2021.
PMID: 34127664
Free PMC article.
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Why Solvent Response Contributions to Solvation Free Energies Are Compatible with Ben-Naim's Theorem.
Heinz LP, Grubmüller H.
Heinz LP, et al.
J Chem Theory Comput. 2023 Nov 28;19(22):8013-8019. doi: 10.1021/acs.jctc.3c00655. Epub 2023 Nov 10.
J Chem Theory Comput. 2023.
PMID: 37948626
Free PMC article.
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In silico assessment of the conduction mechanism of the Ryanodine Receptor 1 reveals previously unknown exit pathways.
Heinz LP, Kopec W, de Groot BL, Fink RHA.
Heinz LP, et al.
Sci Rep. 2018 May 2;8(1):6886. doi: 10.1038/s41598-018-25061-z.
Sci Rep. 2018.
PMID: 29720700
Free PMC article.
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In Silico Measurements of Twist and Bend Moduli for β-Solenoid Protein Self-Assembly Units.
Heinz LP, Ravikumar KM, Cox DL.
Heinz LP, et al.
Nano Lett. 2015 May 13;15(5):3035-40. doi: 10.1021/nl5049719. Epub 2015 Apr 30.
Nano Lett. 2015.
PMID: 25915774
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