I. Jákli

发表

Quantum Chemical Calculations on Small Protein Models

I. Jákli, A. Perczel, B. Viskolcz, 2014 .

Impairment of a model peptide by oxidative stress: Thermodynamic stabilities of asparagine diamide Cα-radical foldamers

I. Jákli, A. Perczel, B. Viskolcz, 2014 .

Identification of the bioactive conformation for mucin epitope peptides

I. Jákli, Ö. Farkas, G. Imre, 2007 .

Parameter-free linear relationship (PFLR) and its application to 3D QSAR

I. Jákli, Ö. Farkas, G. Imre, 2009 .

Cryo-EM structure of acylpeptide hydrolase reveals substrate selection by multimerization and a multi-state serine-protease triad

I. Jákli, A. Perczel, N. Hosogi, 2022, Chemical science.

The inherent flexibility of peptides and protein fragments quantitized by CD in conjunction with CCA+

I. Jákli, A. Perczel, 2009, Journal of peptide science : an official publication of the European Peptide Society.

Aromatic Cluster Sensor of Protein Folding: Near-UV Electronic Circular Dichroism Bands Assigned to Fold Compactness.

I. Jákli, A. Perczel, G. Tóth, 2016, Chemistry.

Atropisomerism of the Asn α radicals revealed by Ramachandran surface topology.

I. Jákli, A. Perczel, B. Viskolcz, 2013, The journal of physical chemistry. B.

Off-pathway 3D-structure provides protection against spontaneous Asn/Asp isomerization: shielding proteins Achilles heel

I. Jákli, A. Perczel, G. Mező, 2020, Quarterly Reviews of Biophysics.

The role of entropy in initializing the aggregation of peptides: a first principle study on oligopeptide oligomerization.

I. Jákli, A. Perczel, I. Csizmadia, 2012, Physical chemistry chemical physics : PCCP.

Predictable Conformational Diversity in Foldamers of Sugar Amino Acids

Ilona Hudáky, András Perczel, Dóra K. Menyhárd, 2017, J. Chem. Inf. Model..

Four faces of the interaction between ions and aromatic rings

Petra Rovó, András Perczel, Imre Jákli, 2017, J. Comput. Chem..

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, 2003, J. Comput. Chem..

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

András Perczel, Imre Jákli, Péter Hudáky, 2001, J. Comput. Chem..

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

I. Jákli, A. Perczel, I. Csizmadia, 2000 .

A search for the ideal type I β-turn

G. Fasman, I. Jákli, A. Perczel, 1996 .

Helix compactness and stability: Electron structure calculations of conformer dependent thermodynamic functions

I. Jákli, A. Perczel, B. Viskolcz, 2013 .

Aromatic cluster sensor of protein folding: near-UV ECD bandsassigned to fold compactness

I. Jákli, A. Perczel, V. Farkas, 2016 .

Peptide models XXI. Side-chain/backbone conformational interconversions in HCO-l-Ser-NH2. Tracing relaxation paths by ab initio modeling. An exploratory study

I. Jákli, A. Perczel, I. Csizmadia, 1998 .

PEPTIDE MODELS XXII. A CONFORMATIONAL MODEL FOR AROMATIC AMINO ACID RESIDUES IN PROTEINS. A COMPREHENSIVE ANALYSIS OF ALL THE RHF/6-31+G CONFORMERS OF FOR-L-PHE-NH2

I. Jákli, A. Perczel, I. Csizmadia, 1998 .

Hydrogen‐Bonding Network Anchors the Cyclic Form of Sugar Arylhydrazones

I. Jákli, A. Perczel, A. Csámpai, 2016 .

A theoretical study of the stability of disulfide bridges in various β-sheet structures of protein segment models

I. Jákli, A. Perczel, B. Viskolcz, 2014 .

Amide isomerization pathways: Electronic and structural background of protonation- and deprotonation-mediated cis-trans interconversions.

I. Jákli, A. Perczel, Dániel Horváth, 2023, The Journal of chemical physics.