Dennis R. Salahub
Orcid: 0000-0002-9848-3762
According to our database1,
Dennis R. Salahub
authored at least 16 papers
between 1995 and 2024.
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Bibliography
2024
Reinforcement learning for in silico determination of adsorbate - substrate structures.
J. Comput. Chem., June, 2024
Active-learning for global optimization of Ni-Ceria nanoparticles: The case of Ce<sub>4-x</sub>Ni<sub>x</sub>O<sub>8-</sub><sub>x</sub> (x = 1, 2, 3).
J. Comput. Chem., 2024
2023
J. Comput. Chem., 2023
2022
Radical pairs may explain reactive oxygen species-mediated effects of hypomagnetic field on neurogenesis.
PLoS Comput. Biol., 2022
A transformer-based model to predict peptide-HLA class I binding and optimize mutated peptides for vaccine design.
Nat. Mach. Intell., 2022
Comput., 2022
2021
MDA-GCNFTG: identifying miRNA-disease associations based on graph convolutional networks via graph sampling through the feature and topology graph.
Briefings Bioinform., 2021
DTI-MLCD: predicting drug-target interactions using multi-label learning with community detection method.
Briefings Bioinform., 2021
DTI-CDF: a cascade deep forest model towards the prediction of drug-target interactions based on hybrid features.
Briefings Bioinform., 2021
2011
Spin-driven activation of dioxygen in various metalloenzymes and their inspired models.
J. Comput. Chem., 2011
2010
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
2004
Intramolecular interaction energies in model alanine and glycine tetrapeptides. Evaluation of anisotropy, polarization, and correlation effects. A parallel ab initio HF/MP2, DFT, and polarizable molecular mechanics study.
J. Comput. Chem., 2004
2003
A density functional study of the hydrogen-bond network within the HIV-1 protease catalytic site cleft.
J. Comput. Chem., 2003
1997
A density functional study of the glycine molecule: Comparison with post-Hartree-Fock calculations and experiment.
J. Comput. Chem., 1997
1995
Applications of the Adiabatic Connection Method to Conformational Equilibria and Reactions Involving Formic Acid.
Comput. Chem., 1995