| Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems T Darden, D York, L Pedersen The Journal of chemical physics 98 (12), 10089-10092, 1993 | 21192 | 1993 |
| CHARMM: the biomolecular simulation program BR Brooks, CL Brooks III, AD Mackerell Jr, L Nilsson, RJ Petrella, B Roux, ... Journal of computational chemistry 30 (10), 1545-1614, 2009 | 6105 | 2009 |
| AMBER 2015 DA Case, J Berryman, RM Betz, DS Cerutti, TE Cheatham Iii, TA Darden, ... University of California, 2015 | 2081 | 2015 |
| The effect of long‐range electrostatic interactions in simulations of macromolecular crystals: A comparison of the Ewald and truncated list methods DM York, TA Darden, LG Pedersen The Journal of chemical physics 99 (10), 8345-8348, 1993 | 766* | 1993 |
| A smooth solvation potential based on the conductor-like screening model DM York, M Karplus The Journal of Physical Chemistry A 103 (50), 11060-11079, 1999 | 313 | 1999 |
| An efficient linear-scaling Ewald method for long-range electrostatic interactions in combined QM/MM calculations K Nam, J Gao, DM York Journal of Chemical Theory and Computation 1 (1), 2-13, 2005 | 251 | 2005 |
| A chemical potential equalization method for molecular simulations DM York, W Yang The Journal of chemical physics 104 (1), 159-172, 1996 | 242 | 1996 |
| Extension of the self-consistent-charge density-functional tight-binding method: third-order expansion of the density functional theory total energy and introduction of a … Y Yang, H Yu, D York, Q Cui, M Elstner The Journal of Physical Chemistry A 111 (42), 10861-10873, 2007 | 223 | 2007 |
| Linear‐scaling semiempirical quantum calculations for macromolecules TS Lee, DM York, W Yang The Journal of Chemical Physics 105 (7), 2744-2750, 1996 | 210 | 1996 |
| Toward the accurate modeling of DNA: the importance of long-range electrostatics DM York, W Yang, H Lee, T Darden, LG Pedersen Journal of the American Chemical Society 117 (17), 5001-5002, 1995 | 205 | 1995 |
| Atomic-level accuracy in simulations of large protein crystals DM York, A Wlodawer, LG Pedersen, TA Darden Proceedings of the National Academy of Sciences 91 (18), 8715-8718, 1994 | 203 | 1994 |
| Constant pH replica exchange molecular dynamics in explicit solvent using discrete protonation states: implementation, testing, and validation JM Swails, DM York, AE Roitberg Journal of chemical theory and computation 10 (3), 1341-1352, 2014 | 173 | 2014 |
| Specific reaction parametrization of the AM1/d Hamiltonian for phosphoryl transfer reactions: H, O, and P atoms K Nam, Q Cui, J Gao, DM York Journal of Chemical Theory and Computation 3 (2), 486-504, 2007 | 154 | 2007 |
| The fast Fourier Poisson method for calculating Ewald sums D York, W Yang The Journal of Chemical Physics 101 (4), 3298-3300, 1994 | 134 | 1994 |
| Theoretical methods that help understanding the structure and reactivity of gas phase ions JM Mercero, JM Matxain, X Lopez, DM York, A Largo, LA Eriksson, ... International Journal of Mass Spectrometry 240 (1), 37-99, 2005 | 129 | 2005 |
| Solvent structure and hammerhead ribozyme catalysis M Martick, TS Lee, DM York, WG Scott Chemistry & biology 15 (4), 332-342, 2008 | 120 | 2008 |
| Accurate proton affinity and gas-phase basicity values for molecules important in biocatalysis A Moser, K Range, DM York The Journal of Physical Chemistry B 114 (43), 13911-13921, 2010 | 117 | 2010 |
| AMBER 2015; University of California: San Francisco, CA, 2015 DA Case, JT Berryman, RM Betz, DS Cerutti, TE Cheatham III, TA Darden, ... Google Scholar There is no corresponding record for this reference, 2015 | 107 | 2015 |
| Role of Mg2+ in Hammerhead Ribozyme Catalysis from Molecular Simulation TS Lee, CS López, GM Giambaşu, M Martick, WG Scott, DM York Journal of the American Chemical Society 130 (10), 3053-3064, 2008 | 105 | 2008 |
| Molecular dynamics simulation of HIV-1 protease in a crystalline environment and in solution DM York, TA Darden, LG Pedersen, MW Anderson Biochemistry 32 (6), 1443-1453, 1993 | 105 | 1993 |
Michael E HarrisProfessor of Chemistry, University of FloridaVerified email at chem.ufl.edu
