Các bài viết có thể truy cập công khai - Douglas TobiasTìm hiểu thêm
Không có ở bất kỳ nơi nào: 16
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
Các cơ quan ủy nhiệm: German Research Foundation
Spatial dependence of protein-water collective hydrogen-bond dynamics
M Heyden, DJ Tobias
Physical review letters 111 (21), 218101, 2013
Các cơ quan ủy nhiệm: German Research Foundation
Modelling consortium for chemistry of indoor environments (MOCCIE): integrating chemical processes from molecular to room scales
M Shiraiwa, N Carslaw, DJ Tobias, MS Waring, D Rim, G Morrison, ...
Environmental Science: Processes & Impacts 21 (8), 1240-1254, 2019
Các cơ quan ủy nhiệm: German Research Foundation
Investigation of Interfacial and Bulk Dissociation of HBr, HCl, and HNO3 Using Density Functional Theory-Based Molecular Dynamics Simulations
MD Baer, DJ Tobias, CJ Mundy
The Journal of Physical Chemistry C 118 (50), 29412-29420, 2014
Các cơ quan ủy nhiệm: US Department of Energy
Solvent-shared ion pairs at the air–solution interface of magnesium chloride and sulfate solutions revealed by sum frequency spectroscopy and molecular dynamics simulations
L Götte, KM Parry, W Hua, D Verreault, HC Allen, DJ Tobias
The Journal of Physical Chemistry A 121 (34), 6450-6459, 2017
Các cơ quan ủy nhiệm: US National Science Foundation
Multiscale modeling of human skin oil-induced indoor air chemistry: Combining kinetic models and molecular dynamics
M von Domaros, PSJ Lakey, M Shiraiwa, DJ Tobias
The Journal of Physical Chemistry B 124 (18), 3836-3843, 2020
Các cơ quan ủy nhiệm: German Research Foundation
Specific Anion Effects on Na+ Adsorption at the Aqueous Solution–Air Interface: MD Simulations, SESSA Calculations, and Photoelectron Spectroscopy Experiments
G Olivieri, KM Parry, R D’Auria, DJ Tobias, MA Brown
The Journal of Physical Chemistry B 122 (2), 910-918, 2018
Các cơ quan ủy nhiệm: US National Science Foundation
Experimental and simulation studies of aquaporin 0 water permeability and regulation
JE Hall, JA Freites, DJ Tobias
Chemical reviews 119 (9), 6015-6039, 2019
Các cơ quan ủy nhiệm: US National Institutes of Health
Orientation and structure of acetonitrile in water at the liquid–vapor interface: a molecular dynamics simulation study
MJ Makowski, AC Stern, JC Hemminger, DJ Tobias
The Journal of Physical Chemistry C 120 (31), 17555-17563, 2016
Các cơ quan ủy nhiệm: US National Science Foundation, US Department of Energy
Multiphase ozonolysis of oleic acid-based lipids: quantitation of major products and kinetic multilayer modeling
Z Zhou, PSJ Lakey, M von Domaros, N Wise, DJ Tobias, M Shiraiwa, ...
Environmental Science & Technology 56 (12), 7716-7728, 2022
Các cơ quan ủy nhiệm: Natural Sciences and Engineering Research Council of Canada
Molecular Orientation at the Squalene/Air Interface from Sum Frequency Generation Spectroscopy and Atomistic Modeling
M Von Domaros, Y Liu, JL Butman, E Perlt, FM Geiger, DJ Tobias
The Journal of Physical Chemistry B 125 (15), 3932-3941, 2021
Các cơ quan ủy nhiệm: US National Science Foundation, German Research Foundation
Molecular mechanism of aggregation of the cataract-related γD-crystallin W42R variant from multiscale atomistic simulations
EK Wong, V Prytkova, JA Freites, CT Butts, DJ Tobias
Biochemistry 58 (35), 3691-3699, 2019
Các cơ quan ủy nhiệm: US National Science Foundation, US National Institutes of Health
Molecular dynamics simulations of a powder model of the intrinsically disordered protein Tau
Y Fichou, M Heyden, G Zaccai, M Weik, DJ Tobias
The Journal of Physical Chemistry B 119 (39), 12580-12589, 2015
Các cơ quan ủy nhiệm: German Research Foundation
Role of conformational flexibility in monte carlo simulations of many-protein systems
BB Majumdar, V Prytkova, EK Wong, JA Freites, DJ Tobias, M Heyden
Journal of Chemical Theory and Computation 15 (2), 1399-1408, 2019
Các cơ quan ủy nhiệm: US National Science Foundation, US National Institutes of Health, German …
Gating energetics of a voltage‐dependent K+ channel pore domain
G Starek, JA Freites, S Bernèche, DJ Tobias
Journal of computational chemistry 38 (16), 1472-1478, 2017
Các cơ quan ủy nhiệm: US National Science Foundation
Anomalous Diffusion of Peripheral Membrane Signaling Proteins from All-Atom Molecular Dynamics Simulations
AD Geragotelis, JA Freites, DJ Tobias
The Journal of Physical Chemistry B 125 (35), 9990-9998, 2021
Các cơ quan ủy nhiệm: US National Institutes of Health
Có tại một số nơi: 85
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
Các cơ quan ủy nhiệm: US National Institutes of Health
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
Các cơ quan ủy nhiệm: UK Engineering and Physical Sciences Research Council
Structure and hydration of membranes embedded with voltage-sensing domains
D Krepkiy, M Mihailescu, JA Freites, EV Schow, DL Worcester, ...
Nature 462 (7272), 473-479, 2009
Các cơ quan ủy nhiệm: US National Institutes of Health
Ion Specificity at the Peptide Bond: Molecular Dynamics Simulations of N-Methylacetamide in Aqueous Salt Solutions
J Heyda, JC Vincent, DJ Tobias, J Dzubiella, P Jungwirth
The Journal of Physical Chemistry B 114 (2), 1213-1220, 2010
Các cơ quan ủy nhiệm: German Research Foundation
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