Douglas J. Tobias

发表

Molecular Simulations On Supercomputers

Charles L. Brooks, William S. Young, Douglas J. Tobias, 1991, Int. J. High Perform. Comput. Appl..

Modeling Protein Homopolymeric Repeats: Possible Polyglutamine Structural Motifs for Huntington's Disease

Richard H. Lathrop, Malcolm S. Casale, Douglas J. Tobias, 1998, ISMB.

Vector and parallel algorithms for the molecular dynamics simulation of macromolecules on shared‐memory computers

Douglas J. Tobias, Charles L. Brooks, John E. Mertz, 1991 .

Gating energetics of a voltage‐dependent K+ channel pore domain

Douglas J. Tobias, Simon Bernèche, Greg Starek, 2017, J. Comput. Chem..

Explicit reversible integrators for extended systems dynamics

Mark E. Tuckerman, Douglas J. Tobias, Michael L. Klein, 1996 .

Hydration water mobility is enhanced around tau amyloid fibers

Douglas J. Tobias, Estelle Mossou, Michaela Zamponi, 2015, Proceedings of the National Academy of Sciences.

Atomic-scale molecular dynamics simulations of lipid membranes

Douglas J. Tobias, Michael L. Klein, M. Klein, 1997 .

Molecular Structure of Salt Solutions: A New View of the Interface with Implications for Heterogeneous Atmospheric Chemistry

Douglas J. Tobias, D. Tobias, A. Jungwirth, 2001 .

Constant Pressure and Temperature Molecular Dynamics Simulations of Crystals of the Lecithin Fragments: Glycerylphosphorylcholine and Dilauroylglycerol

Douglas J. Tobias, Michael L. Klein, M. Klein, 1995 .

Reaction paths and free energy profiles for conformational transitions: An internal coordinate approach

Charles L. Brooks, Themis Lazaridis, Douglas J. Tobias, 1991 .

Arginine in Membranes: The Connection Between Molecular Dynamics Simulations and Translocon-Mediated Insertion Experiments

Douglas J. Tobias, Andreas Bernsel, Gunnar von Heijne, 2010, The Journal of Membrane Biology.

Molecular dynamics simulations of a protein in the canonical ensemble

Glenn J. Martyna, Douglas J. Tobias, Michael L. Klein, 1993 .

Ions at the Air/Water Interface

Douglas J. Tobias, D. Tobias, †§ and Pavel Jungwirth, 2002 .

Hydroxide anion at the air–water interface

I-Feng W. Kuo, Mark E. Tuckerman, Douglas J. Tobias, 2009 .

Does Nitric Acid Dissociate at the Aqueous Solution Surface

Douglas J. Tobias, John C. Hemminger, Bernd Winter, 2011 .

Polarizability of the nitrate anion and its solvation at the air/water interface

Pedro Salvador, Douglas J. Tobias, Pavel Jungwirth, 2003 .

Voltage Sensing in Membranes: From Macroscopic Currents to Molecular Motions

Douglas J. Tobias, J. Alfredo Freites, 2015, The Journal of Membrane Biology.

Molecular Dynamics Simulations of a Powder Model of the Intrinsically Disordered Protein Tau.

Douglas J. Tobias, Matthias Heyden, D. Tobias, 2015, The journal of physical chemistry. B.

Stability of a model β-sheet in water

Charles L. Brooks, Douglas J. Tobias, C. Brooks, 1992 .

Environmental Dependence of the Dynamics of Protein Hydration Water

Douglas J. Tobias, Mounir Tarek, D. Tobias, 1999 .

The thermodynamics of solvophobic effects: A molecular‐dynamics study of n‐butane in carbon tetrachloride and water

Charles L. Brooks, Douglas J. Tobias, C. Brooks, 1990 .

Electronic Polarization and Hydration of the Dimethyl phosphate Anion: An ab Initio Molecular Dynamics Study

Douglas J. Tobias, I−Feng Kuo and, 2001 .

Allosteric mechanism of water channel gating by Ca2+–calmodulin

Tamir Gonen, Douglas J. Tobias, Matthias Heyden, 2013, Nature Structural &Molecular Biology.

Conformational equilibrium in the alanine dipeptide in the gas phase and aqueous solution : a comparison of theoretical results

Charles L. Brooks, Douglas J. Tobias, C. Brooks, 1992 .

Molecular dynamics with internal coordinate constraints

Charles L. Brooks, Douglas J. Tobias, C. Brooks, 1988 .