Arron P. Sullivan
J. Comput. Aided Mol. Des. · 2010
A researcher in the Science corpus: 1 paper; trusts 5 researchers and is trusted by 0 researchers here, as inferred from the citation graph.
Whom Arron P. Sullivan trusts overall
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Papers from Arron P. Sullivan's perspective
Ordered by how strongly the researchers Arron P. Sullivan trusts endorse each paper. Same corpus, a different order for every researcher.
- Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions. (Journal of Chemical Theory and Computation)
- Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements (Journal of Molecular Modeling)
- Performance of B3LYP Density Functional Methods for a Large Set of Organic Molecules. (Journal of Chemical Theory and Computation)
- Epik: a software program for pKa prediction and protonation state generation for drug-like molecules (J. Comput. Aided Mol. Des.)
- Targeting cancer with small molecule kinase inhibitors (Nature Reviews. Cancer)
- The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic…
- Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions. (Journal of Chemical Theory and Computation)
- Scalable molecular dynamics with NAMD
- Automation of the CHARMM General Force Field (CGenFF) II: Assignment of bonded parameters and partial atomic charges
- Improved Peptide and Protein Torsional Energetics with the OPLS-AA Force Field (Journal of Chemical Theory and Computation)