| Toward optimized potential functions for protein–protein interactions in aqueous solutions: osmotic second virial coefficient calculations using the martini coarse-grained … AC Stark, CT Andrews, AH Elcock Journal of chemical theory and computation 9 (9), 4176-4185, 2013 | 139 | 2013 |
| Stacking free energies of all DNA and RNA nucleoside pairs and dinucleoside-monophosphates computed using recently revised AMBER parameters and compared with experiment RF Brown, CT Andrews, AH Elcock Journal of chemical theory and computation 11 (5), 2315-2328, 2015 | 99 | 2015 |
| Molecular dynamics simulations of highly crowded amino acid solutions: comparisons of eight different force field combinations with experiment and with each other CT Andrews, AH Elcock Journal of chemical theory and computation 9 (10), 4585-4602, 2013 | 48 | 2013 |
| Direct comparison of amino acid and salt interactions with double-stranded and single-stranded DNA from explicit-solvent molecular dynamics simulations CT Andrews, BA Campbell, AH Elcock Journal of chemical theory and computation 13 (4), 1794-1811, 2017 | 27 | 2017 |
| COFFDROP: a coarse-grained nonbonded force field for proteins derived from all-atom explicit-solvent molecular dynamics simulations of amino acids CT Andrews, AH Elcock Journal of chemical theory and computation 10 (11), 5178-5194, 2014 | 24 | 2014 |
| Large-scale analysis of 48 DNA and 48 RNA tetranucleotides studied by 1 μs explicit-solvent molecular dynamics simulations MV Schrodt, CT Andrews, AH Elcock Journal of chemical theory and computation 11 (12), 5906-5917, 2015 | 21 | 2015 |
| Parametrization of backbone flexibility in a coarse-grained force field for proteins (coffdrop) derived from all-atom explicit-solvent molecular dynamics simulations of all … T Frembgen-Kesner, CT Andrews, S Li, NA Ngo, SA Shubert, A Jain, ... Journal of chemical theory and computation 11 (5), 2341-2354, 2015 | 20 | 2015 |
| Molecular dynamics simulations of 441 two-residue peptides in aqueous solution: Conformational preferences and neighboring residue effects with the Amber ff99SB-ildn-NMR force … S Li, CT Andrews, T Frembgen-Kesner, MS Miller, SL Siemonsma, ... Journal of chemical theory and computation 11 (3), 1315-1329, 2015 | 15 | 2015 |
| Correction to Stacking Free Energies of All DNA and RNA Nucleoside Pairs and Dinucleoside-Monophosphates Computed Using Recently Revised AMBER Parameters and Compared with … RF Brown, CT Andrews, AH Elcock Journal of chemical theory and computation 14 (12), 6742-6743, 2018 | 2 | 2018 |
| Correction to Large-Scale Analysis of 48 DNA and 48 RNA Tetranucleotides Studied by 1 μs Explicit-Solvent Molecular Dynamics Simulations MV Schrodt, CT Andrews, AH Elcock Journal of Chemical Theory and Computation 14 (12), 6744-6745, 2018 | 1 | 2018 |
| Correction to Direct Comparison of Amino Acid and Salt Interactions with Double-Stranded and Single-Stranded DNA from Explicit-Solvent Molecular Dynamics Simulations CT Andrews, BA Campbell, AH Elcock Journal of chemical theory and computation 14 (12), 6746-6747, 2018 | | 2018 |
| Coarse grained potential functions for proteins derived from all-atom explicit-solvent molecular dynamics simulations CT Andrews University of Iowa, 2014 | | 2014 |
| Erratum to Molecular Dynamics Simulations of Highly Crowded Amino Acid Solutions: Comparisons of Eight Different Force Field Combinations with Experiment and with Each Other CT Andrews, AH Elcock Journal of Chemical Theory and Computation 10 (4), 1834-1834, 2014 | | 2014 |
| Efficient QM/MM simulations of a diffusion-controlled chemical reaction MC Zwier, DJ Hatfield, CT Andrews, AH Elcock, LT Chong ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, 2012 | | 2012 |
