Publications by authors named "Gabor Pohl"

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Ab initio molecular dynamics study of solvated electrons in methanol clusters.
Letif Mones, Gábor Pohl, László Turi

Phys Chem Chem Phys· November 2018

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Excess electrons in methanol clusters: Beyond the one-electron picture.
Gábor Pohl, Letif Mones, László Turi

J Chem Phys· October 2016

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Alternative chelator for ⁸⁹Zr radiopharmaceuticals: radiolabeling and evaluation of 3,4,3-(LI-1,2-HOPO).
Melissa A Deri, Shashikanth Ponnala, Brian M Zeglis, Gabor Pohl, J J Dannenberg

J Med Chem· June 2014

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Capping amyloid β-sheets of the tau-amyloid structure VQIVYK with hexapeptides designed to arrest growth. An ONIOM and density functional theory study.
Joshua A Plumley, Jorge Ali-Torres, Gabor Pohl, J J Dannenberg

J Phys Chem B· March 2014

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Capping parallel β-sheets of acetyl(Ala)6NH2 with an acetyl(Ala)5ProNH2 can arrest the growth of the sheet, suggesting a potential for curtailing amyloid growth. An ONIOM and density functional theory study.
Gabor Pohl, Amparo Asensio, J J Dannenberg

Biochemistry· February 2014

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Foldamers of β-peptides: conformational preference of peptides formed by rigid building blocks. The first MI-IR spectra of a triamide nanosystem.
Gábor Pohl, Esther Gorrea, Vicenç Branchadell, Rosa M Ortuño, András Perczel

Amino Acids· October 2013

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The interactions of phenylalanines in β-sheet-like structures from molecular orbital calculations using density functional theory (DFT), MP2, and CCSD(T) methods.
Gabor Pohl, Joshua A Plumley, J J Dannenberg

J Chem Phys· June 2013

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Secondary structure of short β-peptides as the chiral expression of monomeric building units: a rational and predictive model.
Esther Gorrea, Gábor Pohl, Pau Nolis, Sergio Celis, Kepa K Burusco

J Org Chem· November 2012

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Exploiting diverse stereochemistry of β-amino acids: toward a rational design of sheet-forming β-peptide systems.
Gábor Pohl, Tamás Beke-Somfai, Imre G Csizmadia, András Perczel

Amino Acids· August 2012

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Density functional theory study of β-hairpins in antiparallel β-sheets, a new classification based upon H-bond topology.
Dipankar Roy, Gabor Pohl, Jorge Ali-Torres, Mateusz Marianski, J J Dannenberg

Biochemistry· July 2012

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The role of entropy in initializing the aggregation of peptides: a first principle study on oligopeptide oligomerization.
Gábor Pohl, Imre Jákli, Imre G Csizmadia, Dóra Papp, Garibotto Francisco Matías

Phys Chem Chem Phys· January 2012

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Extended apolar beta-peptide foldamers: the role of axis chirality on beta-peptide sheet stability.
Gábor Pohl, Tamás Beke, Imre G Csizmadia, András Perczel

J Phys Chem B· July 2010

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A matrix isolation study on Ac-Gly-NHMe and Ac-l-Ala-NHMe, the simplest chiral and achiral building blocks of peptides and proteins.
Gábor Pohl, András Perczel, Elemér Vass, Gábor Magyarfalvi, György Tarczay

Phys Chem Chem Phys· September 2007

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Prediction of folding preference of 10 kDa silk-like proteins using a Lego approach and ab initio calculations.
Gábor Pohl, Tamás Beke, János Borbély, András Perczel

J Am Chem Soc· November 2006

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