| Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests GA Kaminski, HA Stern, BJ Berne, RA Friesner, YX Cao, RB Murphy, ... Journal of computational chemistry 23 (16), 1515-1531, 2002 | 355 | 2002 |
| Combined fluctuating charge and polarizable dipole models: Application to a five-site water potential function HA Stern, F Rittner, BJ Berne, RA Friesner The Journal of chemical physics 115 (5), 2237-2251, 2001 | 347 | 2001 |
| Computer simulation of a “green chemistry” room-temperature ionic solvent CJ Margulis, HA Stern, BJ Berne The Journal of Physical Chemistry B 106 (46), 12017-12021, 2002 | 337 | 2002 |
| Fluctuating charge, polarizable dipole, and combined models: parameterization from ab initio quantum chemistry HA Stern, GA Kaminski, JL Banks, R Zhou, BJ Berne, RA Friesner The Journal of Physical Chemistry B 103 (22), 4730-4737, 1999 | 327 | 1999 |
| Development of an accurate and robust polarizable molecular mechanics force field from ab initio quantum chemistry GA Kaminski, HA Stern, BJ Berne, RA Friesner The Journal of Physical Chemistry A 108 (4), 621-627, 2004 | 280 | 2004 |
| Calculation of the dielectric permittivity profile for a nonuniform system: Application to a lipid bilayer simulation HA Stern, SE Feller The Journal of chemical physics 118 (7), 3401-3412, 2003 | 271 | 2003 |
| Can water polarizability be ignored in hydrogen bond kinetics? H Xu, HA Stern, BJ Berne The Journal of Physical Chemistry B 106 (8), 2054-2060, 2002 | 236 | 2002 |
| Quantum effects in liquid water: Path-integral simulations of a flexible and polarizable ab initio model HA Stern, BJ Berne The Journal of Chemical Physics 115 (16), 7622-7628, 2001 | 204 | 2001 |
| Strength of the NH···OC and CH···OC Bonds in Formamide and N-Methylacetamide Dimers R Vargas, J Garza, RA Friesner, H Stern, BP Hay, DA Dixon The Journal of Physical Chemistry A 105 (20), 4963-4968, 2001 | 199 | 2001 |
| Controlled Oxidation of Remote sp3 C–H Bonds in Artemisinin via P450 Catalysts with Fine-Tuned Regio- and Stereoselectivity K Zhang, BM Shafer, MD Demars, HA Stern, R Fasan Journal of the American Chemical Society 134 (45), 18695-18704, 2012 | 198 | 2012 |
| Reparameterization of RNA χ torsion parameters for the AMBER force field and comparison to NMR spectra for cytidine and uridine I Yildirim, HA Stern, SD Kennedy, JD Tubbs, DH Turner Journal of chemical theory and computation 6 (5), 1520-1531, 2010 | 193 | 2010 |
| Revised RNA dihedral parameters for the amber force field improve RNA molecular dynamics AH Aytenfisu, A Spasic, A Grossfield, HA Stern, DH Mathews Journal of chemical theory and computation 13 (2), 900-915, 2017 | 113 | 2017 |
| Molecular simulation with variable protonation states at constant pH HA Stern The Journal of chemical physics 126 (16), 2007 | 111 | 2007 |
| Benchmarking AMBER force fields for RNA: Comparisons to NMR spectra for single-stranded r (GACC) are improved by revised χ torsions I Yildirim, HA Stern, JD Tubbs, SD Kennedy, DH Turner The journal of physical chemistry B 115 (29), 9261-9270, 2011 | 108 | 2011 |
| Bridging the gap between long time trajectories and reaction pathways R Elber, A Cárdenas, A Ghosh, HA Stern Advances in Chemical Physics 126, 93-129, 2003 | 81 | 2003 |
| Revision of AMBER torsional parameters for RNA improves free energy predictions for tetramer duplexes with GC and iGiC base pairs I Yildirim, SD Kennedy, HA Stern, JM Hart, R Kierzek, DH Turner Journal of chemical theory and computation 8 (1), 172-181, 2012 | 79 | 2012 |
| Accounting for ligand conformational restriction in calculations of protein-ligand binding affinities C Gao, MS Park, HA Stern Biophysical journal 98 (5), 901-910, 2010 | 63 | 2010 |
| Estimating binding affinities by docking/scoring methods using variable protonation states MS Park, C Gao, HA Stern Proteins: Structure, Function, and Bioinformatics 79 (1), 304-314, 2011 | 52 | 2011 |
| Effects of restrained sampling space and nonplanar amino groups on free-energy predictions for RNA with imino and sheared tandem GA base pairs flanked by GC, CG, iGiC or iCiG … I Yildirim, HA Stern, J Sponer, N Spackova, DH Turner Journal of Chemical Theory and Computation 5 (8), 2088-2100, 2009 | 50 | 2009 |
| Antigenic cartography of H1N1 influenza viruses using sequence-based antigenic distance calculation CS Anderson, PR McCall, HA Stern, H Yang, DJ Topham BMC bioinformatics 19, 1-11, 2018 | 45 | 2018 |
