Constant pressure molecular dynamics algorithms GJ Martyna, DJ Tobias, ML Klein The Journal of chemical physics 101 (5), 4177-4189, 1994 | 5732 | 1994 |
Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types JB Klauda, RM Venable, JA Freites, JW O’Connor, DJ Tobias, ... The journal of physical chemistry B 114 (23), 7830-7843, 2010 | 4317 | 2010 |
Explicit reversible integrators for extended systems dynamics GJ Martyna, ME Tuckerman, DJ Tobias, ML Klein Molecular Physics 87 (5), 1117-1157, 1996 | 2172 | 1996 |
Specific ion effects at the air/water interface P Jungwirth, DJ Tobias Chemical reviews 106 (4), 1259-1281, 2006 | 1551 | 2006 |
Ions at the air/water interface P Jungwirth, DJ Tobias The Journal of Physical Chemistry B 106 (25), 6361-6373, 2002 | 920 | 2002 |
Experiments and simulations of ion-enhanced interfacial chemistry on aqueous NaCl aerosols EM Knipping, MJ Lakin, KL Foster, P Jungwirth, DJ Tobias, RB Gerber, ... Science 288 (5464), 301-306, 2000 | 892 | 2000 |
Molecular structure of salt solutions: a new view of the interface with implications for heterogeneous atmospheric chemistry P Jungwirth, DJ Tobias The Journal of Physical Chemistry B 105 (43), 10468-10472, 2001 | 804 | 2001 |
Role of protein-water hydrogen bond dynamics in the protein dynamical transition M Tarek, DJ Tobias Physical review letters 88 (13), 138101, 2002 | 529 | 2002 |
Unified molecular picture of the surfaces of aqueous acid, base, and salt solutions M Mucha, T Frigato, LM Levering, HC Allen, DJ Tobias, LX Dang, ... The Journal of Physical Chemistry B 109 (16), 7617-7623, 2005 | 509 | 2005 |
Getting specific about specific ion effects DJ Tobias, JC Hemminger Science 319 (5867), 1197-1198, 2008 | 396 | 2008 |
The dynamics of protein hydration water: a quantitative comparison of molecular dynamics simulations and neutron-scattering experiments M Tarek, DJ Tobias Biophysical journal 79 (6), 3244-3257, 2000 | 374 | 2000 |
Statistical clustering techniques for the analysis of long molecular dynamics trajectories: analysis of 2.2-ns trajectories of YPGDV ME Karpen, DJ Tobias, CL Brooks III Biochemistry 32 (2), 412-420, 1993 | 294 | 1993 |
Watching the low-frequency motions in aqueous salt solutions: the terahertz vibrational signatures of hydrated ions S Funkner, G Niehues, DA Schmidt, M Heyden, G Schwaab, KM Callahan, ... Journal of the American Chemical Society 134 (2), 1030-1035, 2012 | 278 | 2012 |
Constant pressure and temperature molecular dynamics simulation of a fully hydrated liquid crystal phase dipalmitoylphosphatidylcholine bilayer K Tu, DJ Tobias, ML Klein Biophysical journal 69 (6), 2558-2562, 1995 | 272 | 1995 |
Air− liquid interfaces of aqueous solutions containing ammonium and sulfate: Spectroscopic and molecular dynamics studies S Gopalakrishnan, P Jungwirth, DJ Tobias, HC Allen The Journal of Physical Chemistry B 109 (18), 8861-8872, 2005 | 268 | 2005 |
Constant-pressure molecular dynamics investigation of cholesterol effects in a dipalmitoylphosphatidylcholine bilayer K Tu, ML Klein, DJ Tobias Biophysical journal 75 (5), 2147-2156, 1998 | 267 | 1998 |
Propensity of soft ions for the air/water interface L Vrbka, M Mucha, B Minofar, P Jungwirth, EC Brown, DJ Tobias Current opinion in colloid & interface science 9 (1-2), 67-73, 2004 | 249 | 2004 |
Conformational equilibrium in the alanine dipeptide in the gas phase and aqueous solution: A comparison of theoretical results DJ Tobias, CL Brooks III The Journal of Physical Chemistry 96 (9), 3864-3870, 1992 | 248 | 1992 |
Atomic-scale molecular dynamics simulations of lipid membranes DJ Tobias, K Tu, ML Klein Current opinion in colloid & interface science 2 (1), 15-26, 1997 | 245 | 1997 |
Translational diffusion of hydration water correlates with functional motions in folded and intrinsically disordered proteins G Schirò, Y Fichou, FX Gallat, K Wood, F Gabel, M Moulin, M Härtlein, ... Nature communications 6 (1), 6490, 2015 | 243 | 2015 |