| Free energies of hydration from a generalized Born model and an ALL-atom force field WL Jorgensen, JP Ulmschneider, J Tirado-Rives The Journal of Physical Chemistry B 108 (41), 16264-16270, 2004 | 242 | 2004 |
| Molecular dynamics of ion transport through the open conformation of a bacterial voltage-gated sodium channel MB Ulmschneider, C Bagnéris, EC McCusker, PG DeCaen, M Delling, ... Proceedings of the National Academy of Sciences 110 (16), 6364-6369, 2013 | 171 | 2013 |
| United atom lipid parameters for combination with the optimized potentials for liquid simulations all-atom force field JP Ulmschneider, MB Ulmschneider Journal of chemical theory and computation 5 (7), 1803-1813, 2009 | 131 | 2009 |
| In silico partitioning and transmembrane insertion of hydrophobic peptides under equilibrium conditions JP Ulmschneider, JC Smith, SH White, MB Ulmschneider Journal of the American Chemical Society 133 (39), 15487-15495, 2011 | 118 | 2011 |
| Molecular dynamics simulations are redefining our view of peptides interacting with biological membranes JP Ulmschneider, MB Ulmschneider Accounts of chemical research 51 (5), 1106-1116, 2018 | 116 | 2018 |
| Spontaneous formation of structurally diverse membrane channel architectures from a single antimicrobial peptide Y Wang, CH Chen, D Hu, MB Ulmschneider, JP Ulmschneider Nature communications 7 (1), 13535, 2016 | 116 | 2016 |
| Spontaneous transmembrane helix insertion thermodynamically mimics translocon-guided insertion MB Ulmschneider, JP Ulmschneider, N Schiller, BA Wallace, ... Nature communications 5 (1), 4863, 2014 | 115 | 2014 |
| Simulation-Guided Rational de Novo Design of a Small Pore-Forming Antimicrobial Peptide CH Chen, CG Starr, E Troendle, G Wiedman, WC Wimley, ... Journal of the American Chemical Society 141 (12), 4839-4848, 2019 | 112 | 2019 |
| Monte Carlo backbone sampling for polypeptides with variable bond angles and dihedral angles using concerted rotations and a Gaussian bias JP Ulmschneider, WL Jorgensen The Journal of chemical physics 118 (9), 4261-4271, 2003 | 112 | 2003 |
| Charged antimicrobial peptides can translocate across membranes without forming channel-like pores JP Ulmschneider Biophysical Journal 113 (1), 73-81, 2017 | 111 | 2017 |
| How reliable are molecular dynamics simulations of membrane active antimicrobial peptides? Y Wang, T Zhao, D Wei, E Strandberg, AS Ulrich, JP Ulmschneider Biochimica et Biophysica Acta (BBA)-Biomembranes 1838 (9), 2280-2288, 2014 | 111 | 2014 |
| Mechanism and kinetics of peptide partitioning into membranes from all-atom simulations of thermostable peptides MB Ulmschneider, JPF Doux, JA Killian, JC Smith, JP Ulmschneider Journal of the American Chemical Society 132 (10), 3452-3460, 2010 | 101 | 2010 |
| A generalized Born implicit-membrane representation compared to experimental insertion free energies MB Ulmschneider, JP Ulmschneider, MSP Sansom, A Di Nola Biophysical journal 92 (7), 2338-2349, 2007 | 94 | 2007 |
| Polypeptide folding using Monte Carlo sampling, concerted rotation, and continuum solvation JP Ulmschneider, WL Jorgensen Journal of the American Chemical Society 126 (6), 1849-1857, 2004 | 91 | 2004 |
| Monte Carlo vs molecular dynamics for all-atom polypeptide folding simulations JP Ulmschneider, MB Ulmschneider, A Di Nola The Journal of Physical Chemistry B 110 (33), 16733-16742, 2006 | 75 | 2006 |
| Conformational states of melittin at a bilayer interface M Andersson, JP Ulmschneider, MB Ulmschneider, SH White Biophysical journal 104 (6), L12-L14, 2013 | 67 | 2013 |
| Reorientation and dimerization of the membrane-bound antimicrobial peptide PGLa from microsecond all-atom MD simulations JP Ulmschneider, JC Smith, MB Ulmschneider, AS Ulrich, E Strandberg Biophysical journal 103 (3), 472-482, 2012 | 61 | 2012 |
| Mechanisms of molecular transport through the urea channel of Helicobacter pylori R McNulty, JP Ulmschneider, H Luecke, MB Ulmschneider Nature communications 4 (1), 2900, 2013 | 53 | 2013 |
| Understanding and modelling the interactions of peptides with membranes: from partitioning to self-assembly CH Chen, MCR Melo, N Berglund, A Khan, C de la Fuente-Nunez, ... Current Opinion in Structural Biology 61, 160-166, 2020 | 37 | 2020 |
| Peptide partitioning properties from direct insertion studies MB Ulmschneider, JC Smith, JP Ulmschneider Biophysical journal 98 (12), L60-L62, 2010 | 37 | 2010 |
