Pavel Hobza
Orcid: 0000-0001-5292-6719
According to our database1,
Pavel Hobza
authored at least 13 papers
between 1994 and 2024.
Collaborative distances:
Collaborative distances:
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Bibliography
2024
Impact of dielectric constant of solvent on the formation of transition metal-ammine complexes.
J. Comput. Chem., 2024
2023
The unusual stability of H-bonded complexes in solvent caused by greater solvation energy of complex compared to those of isolated fragments.
J. Comput. Chem., January, 2023
2017
SQM/COSMO Scoring Function at the DFTB3-D3H4 Level: Unique Identification of Native Protein-Ligand Poses.
J. Chem. Inf. Model., 2017
2012
Evaluation of the performance of post-Hartree-Fock methods in terms of intermolecular distance in noncovalent complexes.
J. Comput. Chem., 2012
2011
J. Comput. Chem., 2011
Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitors.
J. Comput. Aided Mol. Des., 2011
2008
Evaluation of the intramolecular basis set superposition error in the calculations of larger molecules: [<i>n</i>]helicenes and Phe-Gly-Phe tripeptide.
J. Comput. Chem., 2008
2007
Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with <i>ab initio</i> quantum mechanics calculations.
J. Comput. Chem., 2007
2003
New parameterization of the Cornell et al. empirical force field covering amino group nonplanarity in nucleic acid bases.
J. Comput. Chem., 2003
1997
Performance of empirical potentials (AMBER, CFF95, CVFF, CHARMM, OPLS, POLTEV), semiempirical quantum chemical methods (AM1, MNDO/M, PM3), and ab initio Hartree-Fock method for interaction of DNA bases: Comparison with nonempirical beyond Hartree-Fock results.
J. Comput. Chem., 1997
1996
Base stacking in cytosine dimer. A comparison of correlated ab initio calculations with three empirical potential models and density functional theory calculations.
J. Comput. Chem., 1996
1995
1994
The Structures of LiNC, NaNC, and KNC: Potential Energy Surface for the Orbiting Motion of the Metal Cation around the CN Group.
J. Comput. Chem., 1994