András Perczel

Publication Activity (10 Years)

Years Active: 1996-2024
Publications (10 Years): 4

Top Topics

Secondary Structure

Computational Methods

Physico Chemical

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Comput. Biol. Medicine

Publications

Kristóf Takács, Bálint Varga, Viktor Farkas, András Perczel, Vince Grolmusz
Opening Amyloid-Windows to the secondary structure of proteins: The amyloidogenecity increases tenfold inside beta-sheets. Comput. Biol. Medicine 179 (2024)
Zsolt Fazekas, Dóra K. Menyhárd, András Perczel
Omicron Binding Mode: Contact Analysis and Dynamics of the Omicron Receptor-Binding Domain in Complex with ACE2. J. Chem. Inf. Model. 62 (16) (2022)
Dóra K. Menyhárd, Ilona Hudáky, Imre Jákli, György Juhász, András Perczel
Predictable Conformational Diversity in Foldamers of Sugar Amino Acids. J. Chem. Inf. Model. 57 (4) (2017)
Dóra Papp, Petra Rovó, Imre Jákli, Attila G. Császár, András Perczel
Four faces of the interaction between ions and aromatic rings. J. Comput. Chem. 38 (20) (2017)
András Czajlik, Ilona Hudáky, András Perczel
Local protein backbone folds determined by calculated NMR chemical shifts. J. Comput. Chem. 32 (16) (2011)
Villö K. Pálfi, András Perczel
Stability of the hydration layer of tropocollagen: A QM study. J. Comput. Chem. 31 (4) (2010)
Katalin E. Kövér, Tamás Beke, András Lipták, András Perczel
Combined NMR three-bond scalar coupling measurements and QM calculations to calculate OH-rotamer equilibrium of polyalcohols. J. Comput. Chem. 30 (4) (2009)
Villö K. Pálfi, András Perczel
study on various collagen and beta-sheet forming sequences. J. Comput. Chem. 29 (9) (2008)
Annamária F. Ángyán, András Perczel, Sándor Pongor, Zoltán Gáspári
Fast protein fold estimation from NMR-derived distance restraints. Bioinform. 24 (2) (2008)
Tamás Beke, Csaba Somlai, András Perczel
Toward a rational design of -peptide structures. J. Comput. Chem. 27 (1) (2006)
Péter Hudáky, András Perczel
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 information. J. Comput. Chem. 26 (13) (2005)
András Perczel, Zoltán Gáspári, Imre G. Csizmadia
Structure and stability of -pleated sheets. J. Comput. Chem. 26 (11) (2005)
András Perczel, Péter Hudáky, Anna K. Füzéry, Imre G. Csizmadia
Stability issues of covalently and noncovalently bonded peptide subunits. J. Comput. Chem. 25 (8) (2004)
Ilona Hudáky, Péter Hudáky, András Perczel
Solvation model induced structural changes in peptides. A quantum chemical study on Ramachandran surfaces and conformers of alanine diamide using the polarizable continuum model. J. Comput. Chem. 25 (12) (2004)
Tamás Beke, Imre G. Csizmadia, András Perczel
On the flexibility of -peptides. J. Comput. Chem. 25 (2) (2004)
Zoltán Gáspári, Csaba P. Ortutay, András Perczel
A simple fold with variations: the pacifastin inhibitor family. Bioinform. 20 (4) (2004)
András Perczel, Ödön Farkas, Imre Jákli, Igor A. Topol, Imre G. Csizmadia
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 theory. J. Comput. Chem. 24 (9) (2003)
András Perczel, Anna K. Füzéry, Attila G. Császár
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 peptides. J. Comput. Chem. 24 (10) (2003)
Péter Hudáky, Imre Jákli, Attila G. Császár, András Perczel
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-phenylalaninamide. J. Comput. Chem. 22 (7) (2001)
András Perczel, Attila G. Császár
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-NH2. J. Comput. Chem. 21 (10) (2000)
Imre Jákli, András Perczel, Ödön Farkas, Attila G. Császár, Carlos P. Sosa, Imre G. Csizmadia
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 . J. Comput. Chem. 21 (8) (2000)
András Perczel, Ödön Farkas, Imre G. Csizmadia
Peptide models XVI. The identification of selected HCO - L - SER - NH2 conformers via a systematic grid search using ab initio potential energy surfaces. J. Comput. Chem. 17 (7) (1996)