Douglas Tobias
Douglas Tobias
Department of Chemistry, UC Irvine
Verified email at
Cited by
Cited by
Constant pressure molecular dynamics algorithms
GJ Martyna, DJ Tobias, ML Klein
The Journal of chemical physics 101 (5), 4177-4189, 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
Explicit reversible integrators for extended systems dynamics
GJ Martyna, ME Tuckerman, DJ Tobias, ML Klein
Molecular Physics 87 (5), 1117-1157, 1996
Specific ion effects at the air/water interface
P Jungwirth, DJ Tobias
Chemical reviews 106 (4), 1259-1281, 2006
Ions at the air/water interface
P Jungwirth, DJ Tobias
The Journal of Physical Chemistry B 106 (25), 6361-6373, 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
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
Role of protein-water hydrogen bond dynamics in the protein dynamical transition
M Tarek, DJ Tobias
Physical review letters 88 (13), 138101, 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
Getting specific about specific ion effects
DJ Tobias, JC Hemminger
Science 319 (5867), 1197-1198, 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
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
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
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
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
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
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
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
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
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
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