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Douglas Tobias
Douglas Tobias
Department of Chemistry, UC Irvine
Verifierad e-postadress på uci.edu
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Constant pressure molecular dynamics algorithms
GJ Martyna, DJ Tobias, ML Klein
The Journal of chemical physics 101 (5), 4177-4189, 1994
53681994
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
40212010
Explicit reversible integrators for extended systems dynamics
GJ Martyna, ME Tuckerman, DJ Tobias, ML Klein
Molecular Physics 87 (5), 1117-1157, 1996
20951996
Specific ion effects at the air/water interface
P Jungwirth, DJ Tobias
Chemical reviews 106 (4), 1259-1281, 2006
14982006
Ions at the air/water interface
P Jungwirth, DJ Tobias
The Journal of Physical Chemistry B 106 (25), 6361-6373, 2002
8902002
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
8772000
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
7732001
Role of protein-water hydrogen bond dynamics in the protein dynamical transition
M Tarek, DJ Tobias
Physical review letters 88 (13), 138101, 2002
5242002
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
5052005
Getting specific about specific ion effects
DJ Tobias, JC Hemminger
Science 319 (5867), 1197-1198, 2008
3872008
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
3722000
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
2841993
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
2711995
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
2672012
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
2611998
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
2582005
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
2521992
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
2432004
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
2431997
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
2332015
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