András Perczel

According to our database, András Perczel authored at least 21 papers between 1996 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

Omicron Binding Mode: Contact Analysis and Dynamics of the Omicron Receptor-Binding Domain in Complex with ACE2.

Zsolt Fazekas, Dóra K. Menyhárd, András Perczel

J. Chem. Inf. Model., 2022

2017

Predictable Conformational Diversity in Foldamers of Sugar Amino Acids.

Dóra K. Menyhárd, Ilona Hudáky, Imre Jákli, György Juhász, András Perczel

J. Chem. Inf. Model., 2017

Four faces of the interaction between ions and aromatic rings.

Dóra Papp, Petra Rovó, Imre Jákli, Attila G. Császár, András Perczel

J. Comput. Chem., 2017

2011

Local protein backbone folds determined by calculated NMR chemical shifts.

András Czajlik, Ilona Hudáky, András Perczel

J. Comput. Chem., 2011

2010

Stability of the hydration layer of tropocollagen: A QM study.

Villö K. Pálfi, András Perczel

J. Comput. Chem., 2010

2009

Combined NMR three-bond scalar coupling measurements and QM calculations to calculate OH-rotamer equilibrium of polyalcohols.

Katalin E. Kövér, Tamás Beke, András Lipták, András Perczel

J. Comput. Chem., 2009

2008

How stable is a collagen triple helix? An <i>ab initio</i> study on various collagen and beta-sheet forming sequences.

Villö K. Pálfi, András Perczel

J. Comput. Chem., 2008

Fast protein fold estimation from NMR-derived distance restraints.

Annamária F. Ángyán, András Perczel, Sándor Pongor, Zoltán Gáspári

Bioinform., 2008

2006

Toward a rational design of -peptide structures.

Tamás Beke, Csaba Somlai, András Perczel

J. Comput. Chem., 2006

2005

Structure and stability of -pleated sheets.

András Perczel, Zoltán Gáspári, Imre G. Csizmadia

J. Comput. Chem., 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 information.

Péter Hudáky, András Perczel

J. Comput. Chem., 2005

2004

Stability issues of covalently and noncovalently bonded peptide subunits.

András Perczel, Péter Hudáky, Anna K. Füzéry, Imre G. Csizmadia

J. Comput. Chem., 2004

Solvation model induced structural changes in peptides. A quantum chemical study on Ramachandran surfaces and conformers of alanine diamide using the polarizable continuum model.

Ilona Hudáky, Péter Hudáky, András Perczel

J. Comput. Chem., 2004

On the flexibility of -peptides.

Tamás Beke, Imre G. Csizmadia, András Perczel

J. Comput. Chem., 2004

A simple fold with variations: the pacifastin inhibitor family.

Zoltán Gáspári, Csaba P. Ortutay, András Perczel

Bioinform., 2004

2003

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.

András Perczel, Ödön Farkas, Imre Jákli, Igor A. Topol, Imre G. Csizmadia

J. Comput. Chem., 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 peptides.

András Perczel, Anna K. Füzéry, Attila G. Császár

J. Comput. Chem., 2003

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-phenylalaninamide.

Péter Hudáky, Imre Jákli, Attila G. Császár, András Perczel

J. Comput. Chem., 2001

2000

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.

András Perczel, Attila G. Császár

J. Comput. Chem., 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

J. Comput. Chem., 2000

1996

Peptide models XVI. The identification of selected HCO - L - SER - NH2 conformers via a systematic grid search using ab initio potential energy surfaces.

András Perczel, Ödön Farkas, Imre G. Csizmadia

J. Comput. Chem., 1996