Brad A. Bauer

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We present results of molecular dynamics simulations of fully hydrated DMPC bilayers performed on graphics processing units (GPUs) using current state-of-the-art non-polarizable force fields and a local GPU-enabled molecular dynamics code named FEN ZI. We treat the conditionally convergent electrostatic interaction energy exactly using the particle mesh(More)
Molecular dynamics (MD) simulations are a vital tool in chemical research, as they are able to provide an atomistic view of chemical systems and processes that is not obtainable through experiment. However, large-scale MD simulations require access to multicore clusters or supercomputers that are not always available to all researchers. Recently, scientists(More)
[1] High-resolution temperature reconstructions (typically annually to seasonally resolved) have played a key role in understanding paleoclimate immediately prior to the beginning of the instrumental record, especially when calibrated to form an extension of comparable instrumental data coverage (global, hemispheric, and regional). Such calibration allows(More)
When studying membrane-bound protein receptors, it is necessary to move beyond the current state-of-the-art simulations that only consider small membrane patches and implicit solvent. Limits of traditional computer platforms negatively impact the model's level of realism and the computational scales achievable. On the other hand, multi-core platforms such(More)
N-Acetyl-β-glucosamine (NAG) is an important moiety of glycoproteins and is involved in many biological functions. However, conformational and dynamical properties of NAG molecules in aqueous solution, the most common biological environment, remain ambiguous due to limitations of experimental methods. Increasing efforts are made to probe structural(More)
We describe the morphology, functional capabilities, and clinical anatomical implications of the medial portion of the temporalis muscle. Although recognized in Brazilian, German, French, and Hispanic American textbooks of anatomy, this portion of the temporalis has been unappreciated in those published in England and the United States. Given its(More)
We present results from all-atom molecular dynamics simulations of large-scale hydrophobic plates solvated in NaCl and NaI salt solutions. As observed in studies of ions at the air-water interface, the density of iodide near the water-plate interface is significantly enhanced relative to chloride and in the bulk. This allows for the partial hydration of(More)
1 t a n g e n t s s u m m e r 2 0 1 1 t h e j o u r n a l o f t h e m a s t e r o f l i b e r a l a rt s p r o g r a m 33 Bertolt Brecht, Hanns Eisler, and the Guide to War Nancy Krajewski 36 Contributors 2 t a n g e n t s 3 t a n g e n t s l e t t e r f r o m t h e e d i t o r s We are proud to present the tenth edition of Tangents, The Journal of the(More)
We present results of molecular dynamics simulations of a model DPPC-water monolayer using charge equilibration (CHEQ) force fields, which explicitly account for electronic polarization in a classical treatment of intermolecular interactions. The surface pressure, determined as the difference between the monolayer and pure water surface tensions at 323 K,(More)
Stroke welcomes Letters to the Editor and will publish them, if suitable, as space permits. Letters must reference a Stroke published-ahead-of-print article or an article printed within the past 3 weeks. The maximum length is 750 words including no more than 5 references and 3 authors. Please submit letters typed double-spaced. Letters may be shortened or(More)
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