| SESCA: predicting circular dichroism spectra from protein molecular structures G Nagy, M Igaev, NC Jones, SV Hoffmann, H Grubmüller Journal of chemical theory and computation 15 (9), 5087-5102, 2019 | 78 | 2019 |
| Dihedral-based segment identification and classification of biopolymers I: proteins G Nagy, C Oostenbrink Journal of chemical information and modeling 54 (1), 266-277, 2014 | 44 | 2014 |
| Two-Dimensional Heterospectral Correlation Analysis of the Redox-Induced Conformational Transition in Cytochrome c Using Surface-Enhanced Raman and … C Zou, M Larisika, G Nagy, J Srajer, C Oostenbrink, X Chen, W Knoll, ... The Journal of Physical Chemistry B 117 (33), 9606-9614, 2013 | 43 | 2013 |
| Exploring the binding pathways of the 14-3-3ζ protein: Structural and free-energy profiles revealed by Hamiltonian replica exchange molecular dynamics with distancefield … G Nagy, C Oostenbrink, J Hritz PLoS One 12 (7), e0180633, 2017 | 28 | 2017 |
| Theoretical design of a specific DNA–Zinc-finger protein interaction with semi-empirical quantum chemical methods G Nagy, B Gyurcsik, EA Hoffmann, T Körtvélyesi Journal of Molecular Graphics and Modelling 29 (7), 928-934, 2011 | 19 | 2011 |
| Design of a colicin E7 based chimeric zinc-finger nuclease E Németh, GK Schilli, G Nagy, C Hasenhindl, B Gyurcsik, C Oostenbrink Journal of Computer-Aided Molecular Design 28, 841-850, 2014 | 16 | 2014 |
| Entropic and enthalpic contributions to stereospecific ligand binding from enhanced sampling methods B Lai, G Nagy, JA Garate, C Oostenbrink Journal of Chemical Information and Modeling 54 (1), 151-158, 2014 | 15 | 2014 |
| Folding of VemP into translation-arresting secondary structure is driven by the ribosome exit tunnel MH Kolář, G Nagy, J Kunkel, SM Vaiana, LV Bock, H Grubmüller Nucleic acids research 50 (4), 2258-2269, 2022 | 12 | 2022 |
| Implementation of a Bayesian secondary structure estimation method for the SESCA circular dichroism analysis package G Nagy, H Grubmuller Computer Physics Communications 266, 108022, 2021 | 9 | 2021 |
| Dihedral-based segment identification and classification of biopolymers II: Polynucleotides G Nagy, C Oostenbrink Journal of Chemical Information and Modeling 54 (1), 278-288, 2014 | 9 | 2014 |
| Rationalization of stereospecific binding of propranolol to cytochrome P450 2D6 by free energy calculations G Nagy, C Oostenbrink European Biophysics Journal 41, 1065-1076, 2012 | 8 | 2012 |
| Azido derivatives of cellobiose: oxidation at C1 with cellobiose dehydrogenase from Sclerotium rolfsii D Mulla, D Kracher, R Ludwig, G Nagy, M Grandits, W Holzer, Y Saber, ... Carbohydrate research 382, 86-94, 2013 | 4 | 2013 |
| Reference Data Set for Circular Dichroism Spectroscopy Comprised of Validated Intrinsically Disordered Protein Models G Nagy, SV Hoffmann, NC Jones, H Grubmüller Applied Spectroscopy, 00037028241239977, 2024 | 1 | 2024 |
| Amino Acid Residues Controlling Domain Interaction and Interdomain Electron Transfer in Cellobiose Dehydrogenase B Motycka, F Csarman, M Rupp, K Schnabel, G Nagy, K Karnpakdee, ... ChemBioChem 24 (22), e202300431, 2023 | 1 | 2023 |
| Inaccuracies in Circular Dichroism Spectroscopy Based Secondary Structure Estimates G Nagy, H Grubmueller Biophysical Journal 118 (3), 361a, 2020 | 1 | 2020 |
| Transient Non-local Interactions Dominate the Dynamics of Measles Virus NTAIL L Otteson, G Nagy, J Kunkel, G Kodis, W Zheng, C Bignon, S Longhi, ... bioRxiv, 2024.07. 22.604679, 2024 | | 2024 |
| Accurate CD Spectrum Predictions with Sesca: Including Protein Flexibility and Side Chains G Nagy Biophysical Journal 114 (3), 173a, 2018 | | 2018 |
| A New Method to Predict the Electronic Circular Dichroism Spectra of Proteins G Nagy, H Grubmueller Biophysical Journal 112 (3), 290a, 2017 | | 2017 |
| Investigation of the altered folding kinetics of the N-terminal transactivation domain of p53 due to the mutation P27A D Szöllősi, S Pratihar, G Nagy, S Rauscher, R Klement, C Griesinger, ... | | |
| Supporting Information Dihedral-based segment identification and classification of biopolymers I: Proteins G Nagy, C Oostenbrink | | |
