| A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives S Dapprich, I Komáromi, KS Byun, K Morokuma, MJ Frisch Journal of Molecular Structure: THEOCHEM 461, 1-21, 1999 | 2448 | 1999 |
| Combining quantum mechanics methods with molecular mechanics methods in ONIOM T Vreven, KS Byun, I Komáromi, S Dapprich, JA Montgomery Jr, ... Journal of chemical theory and computation 2 (3), 815-826, 2006 | 1038 | 2006 |
| Molecular dynamics simulations of the 136 unique tetranucleotide sequences of DNA oligonucleotides. I. Research design and results on d (CpG) steps DL Beveridge, G Barreiro, KS Byun, DA Case, TE Cheatham, SB Dixit, ... Biophysical journal 87 (6), 3799-3813, 2004 | 314 | 2004 |
| Theoretical studies of protonated and non-protonated Schiff bases of retinal: Ground state structures and energies of the all-trans, 13-cis, 11-cis, 9-cis, 6, 7-cis, and 6-s … RDJ Froese, I Komaromi, KS Byun, K Morokuma Chemical physics letters 272 (5-6), 335-340, 1997 | 29 | 1997 |
| Molecular dynamics simulations of papilloma virus E2 DNA sequences: dynamical models for oligonucleotide structures in solution KS Byun, DL Beveridge Biopolymers: Original Research on Biomolecules 73 (3), 369-379, 2004 | 28 | 2004 |
| Coupled-cluster studies of singlet propynylidene JF Stanton, KS Byun Molecular Physics 96 (4), 505-509, 1999 | 11 | 1999 |
| Molecular dynamics of DNA and protein-DNA complexes: progress on sequence effects, conformational stability, axis curvature, and structural bioinformatics DL Beveridge, SB Dixit, KS Byun, G Barreiro, KM Thayer, S Ponomarev | 8 | 2004 |
| Biophysical Theory and Modeling-Molecular Dynamics Simulations of the 136 Unique Tetranucleotide Sequences of DNA Oligonucleotides. I. Research Design and Results on d (CpG) Steps. DL Beveridge, G Barreiro, KS Byun, DA Case, TE Cheatham, SB Dixit, ... Biophysical Journal 87 (6), 3799-3813, 2004 | 3 | 2004 |
| Combining quantum mechanical methods with molecular mechanics methods in ONIOM T Vreven, KS Byun, I Komaromi, S Dapprich, JA Montgomery Jr, ... Abstracts of Papers of the American Chemical Society 232, 408-408, 2006 | 2 | 2006 |
| Molecular dynamics simulations of the U1A protein-RNA complex. Y Zhao, D Kombo, KS Byun, DL Beveridge, AM Baranger ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 226, U232-U232, 2003 | | 2003 |
