Brad A Bauer
Overview
Explore the profile of Brad A Bauer including associated specialties, affiliations and a list of published articles.
Author names and details appear as published. Due to indexing inconsistencies, multiple individuals may share a name, and a single author may have variations. MedLuna displays this data as publicly available, without modification or verification
Snapshot
Snapshot
Articles
19
Citations
143
Followers
0
Related Specialties
Related Specialties
Top 10 Co-Authors
Top 10 Co-Authors
Published In
Published In
Affiliations
Affiliations
Soon will be listed here.
Recent Articles
1.
Ou S, Lucas T, Zhong Y, Bauer B, Hu Y, Patel S
J Phys Chem B
. 2013 Feb;
117(13):3578-92.
PMID: 23409975
Combining umbrella sampling molecular dynamics (MD) simulations, the weighted histogram analysis method (WHAM) for unbiasing probabilities, and polarizable charge equilibration force fields, we compute the potential of mean force for...
2.
Bauer B, Ou S, Patel S
Chem Phys Lett
. 2012 Nov;
527:22-26.
PMID: 23136448
Potentials of mean force for single, nonpolarizable monovalent halide anions and alkali cations are computed for transversing the water-air interface (modeling using polarizable TIP4P-FQ and TIP4P-QDP). Iodide and bromide in...
3.
Bauer B, Warren G, Patel S
J Chem Theory Comput
. 2012 Nov;
5(2):359-373.
PMID: 23133341
We discuss a new classical water force field that explicitly accounts for differences in polarizability between liquid and vapor phases. The TIP4P-QDP (4-point transferable intermolecular potential with charge dependent-polarizability) force...
4.
Bauer B, Ou S, Patel S, Siva K
Phys Rev E Stat Nonlin Soft Matter Phys
. 2012 Sep;
85(5 Pt 1):051506.
PMID: 23004766
The effects of water confined in regions between self-assembling entities is relevant to numerous contexts such as macromolecular association, protein folding, protein-ligand association, and nanomaterials self-assembly. Thus assessing the impact...
5.
Ou S, Patel S, Bauer B
J Phys Chem B
. 2012 Jul;
116(28):8154-68.
PMID: 22780909
Carbon nanotubes are a promising platform across a broad spectrum of applications ranging from separations technology, drug delivery, to bio(electronic) sensors. Proper dispersion of carbon nanotube materials is important to...
6.
Bauer B, Ou S, Patel S
Phys Chem Chem Phys
. 2012 Jan;
14(6):1892-906.
PMID: 22231014
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...
7.
Lucas T, Bauer B, Davis J, Patel S
J Comput Chem
. 2011 Oct;
33(2):141-52.
PMID: 21997857
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...
8.
Lucas T, Bauer B, Patel S
Biochim Biophys Acta
. 2011 Oct;
1818(2):318-29.
PMID: 21967961
With the continuing advances in computational hardware and novel force fields constructed using quantum mechanics, the outlook for non-additive force fields is promising. Our work in the past several years...
9.
Zhong Y, Bauer B, Patel S
J Comput Chem
. 2011 Sep;
32(16):3339-53.
PMID: 21898464
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...
10.
Ganesan N, Bauer B, Lucas T, Patel S, Taufer M
J Comput Chem
. 2011 Jul;
32(14):2958-73.
PMID: 21793003
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...