András Perczel - researchr alias

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2022

Omicron Binding Mode: Contact Analysis and Dynamics of the Omicron Receptor-Binding Domain in Complex with ACE2Zsolt Fazekas, Dóra K. Menyhárd, András Perczel. jcisd, 62(16):3844-3853, 2022. [doi]

2017

Predictable Conformational Diversity in Foldamers of Sugar Amino AcidsDóra K. Menyhárd, Ilona Hudáky, Imre Jákli, György Juhász, András Perczel. jcisd, 57(4):757-768, 2017. [doi]

Four faces of the interaction between ions and aromatic ringsDóra Papp, Petra Rovó, Imre Jákli, Attila G. Császár, András Perczel. jcc, 38(20):1762-1773, 2017. [doi]

2011

Local protein backbone folds determined by calculated NMR chemical shiftsAndrás Czajlik, Ilona Hudáky, András Perczel. jcc, 32(16):3362-3382, 2011. [doi]

2009

Combined NMR three-bond scalar coupling measurements and QM calculations to calculate OH-rotamer equilibrium of polyalcoholsKatalin E. Kövér, Tamás Beke, András Lipták, András Perczel. jcc, 30(4):540-550, 2009. [doi]

2008

How stable is a collagen triple helix? An ::::ab initio:::: study on various collagen and beta-sheet forming sequencesVillö K. Pálfi, András Perczel. jcc, 29(9):1374-1386, 2008. [doi]

Fast protein fold estimation from NMR-derived distance restraintsAnnamária F. Ángyán, András Perczel, Sándor Pongor, Zoltán Gáspári. bioinformatics, 24(2):272-275, 2008. [doi]

2006

Toward a rational design of -peptide structuresTamás Beke, Csaba Somlai, András Perczel. jcc, 27(1):20-38, 2006. [doi]

2005

Toward direct determination of conformations of protein building units from multidimensional NMR experiments VI. Chemical shift analysis of his to gain 3D structure and protonation state informationPéter Hudáky, András Perczel. jcc, 26(13):1307-1317, 2005. [doi]

Structure and stability of -pleated sheetsAndrás Perczel, Zoltán Gáspári, Imre G. Csizmadia. jcc, 26(11):1155-1168, 2005. [doi]

2004

2003

Toward direct determination of conformations of protein building units from multidimensional NMR experiments. V. NMR chemical shielding analysis of N-formyl-serinamide, a model for polar side-chain containing peptidesAndrás Perczel, Anna K. Füzéry, Attila G. Császár. jcc, 24(10):1157-1171, 2003. [doi]

Peptide models. XXXIII. Extrapolation of low-level Hartree-Fock data of peptide conformation to large basis set SCF, MP2, DFT, and CCSD(T) results. The Ramachandran surface of alanine dipeptide computed at various levels of theoryAndrás Perczel, Ödön Farkas, Imre Jákli, Igor A. Topol, Imre G. Csizmadia. jcc, 24(9):1026-1042, 2003. [doi]

2001

Peptide models XXXI. Conformational properties of hydrophobic residues shaping the core of proteins. An ab initio study of N-formyl-L-valinamide and N-formyl-L-phenylalaninamidePéter Hudáky, Imre Jákli, Attila G. Császár, András Perczel. jcc, 22(7):732-751, 2001. [doi]

2000

Peptide models XXIII. Conformational model for polar side-chain containing amino acid residues: A comprehensive analysis of RHF, DFT, and MP2 properties of HCO-L-SER-NH2 Imre Jákli, András Perczel, Ödön Farkas, Attila G. Császár, Carlos P. Sosa, Imre G. Csizmadia. jcc, 21(8):626-655, 2000. [doi]

Toward direct determination of conformations of protein building units from multidimensional NMR experiments I. A theoretical case study of For-Gly-NH2 and For-L-Ala-NH2András Perczel, Attila G. Császár. jcc, 21(10):882-900, 2000. [doi]

1996

Peptide models XVI. The identification of selected HCO - L - SER - NH2 conformers via a systematic grid search using ab initio potential energy surfacesAndrás Perczel, Ödön Farkas, Imre G. Csizmadia. jcc, 17(7):821-834, 1996. [doi]

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