György G. Ferenczy
Orcid: 0000-0002-5771-4616
According to our database1,
György G. Ferenczy
authored at least 19 papers
between 1994 and 2021.
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Bibliography
2021
J. Comput. Aided Mol. Des., 2021
2020
Affinity and Selectivity Assessment of Covalent Inhibitors by Free Energy Calculations.
J. Chem. Inf. Model., 2020
2019
Catalytic Mechanism and Covalent Inhibition of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA): Implications to the Design of Novel Antibacterials.
J. Chem. Inf. Model., 2019
The role of water and protein flexibility in the structure-based virtual screening of allosteric GPCR modulators: an mGlu5 receptor case study.
J. Comput. Aided Mol. Des., 2019
2018
Validation of tautomeric and protomeric binding modes by free energy calculations. A case study for the structure based optimization of d-amino acid oxidase inhibitors.
J. Comput. Aided Mol. Des., 2018
2016
Structure-Based Consensus Scoring Scheme for Selecting Class A Aminergic GPCR Fragments.
J. Chem. Inf. Model., 2016
Discovery of Subtype Selective Janus Kinase (JAK) Inhibitors by Structure-Based Virtual Screening.
J. Chem. Inf. Model., 2016
2015
Erratum to: A desirability function-based scoring scheme for selecting fragment-like class A aminergic GPCR ligands.
J. Comput. Aided Mol. Des., 2015
A desirability function-based scoring scheme for selecting fragment-like class A aminergic GPCR ligands.
J. Comput. Aided Mol. Des., 2015
2013
Calculation of wave-functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. II. Application of the local basis equation.
J. Comput. Chem., 2013
Calculation of wave-functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. Part I. Application of the Huzinaga equation.
J. Comput. Chem., 2013
2012
2010
2001
Intra- and intermolecular interactions in crystals of polar molecules. A study by the mixed quantum mechanical/molecular mechanical SCMP-NDDO method.
J. Comput. Chem., 2001
2000
Fully polarizable QM/MM calculations: An application to the nonbonded iodine-oxygen interaction in dimethyl-2-iodobenzoylphosphonate.
J. Comput. Chem., 2000
1999
J. Comput. Chem., 1999
1998
Quantum mechanical/molecular mechanical self-consistent Madelung potential method for treatment of polar molecular crystals.
J. Comput. Chem., 1998
1994
Quantum Mechanical Computations on Very Large Molecular Systems: The Local Self-Consistent Field Method.
J. Comput. Chem., 1994