Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Additional filters

Article Language

Species

Sex

Age

Other

Search Results

117 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Publication Date timeline is not available.
Page 1
Freezing, melting and structure of ice in a hydrophilic nanopore.
Moore EB, de la Llave E, Welke K, Scherlis DA, Molinero V. Moore EB, et al. Among authors: molinero v. Phys Chem Chem Phys. 2010 Apr 28;12(16):4124-34. doi: 10.1039/b919724a. Epub 2010 Feb 26. Phys Chem Chem Phys. 2010. PMID: 20379503
A methane-water model for coarse-grained simulations of solutions and clathrate hydrates.
Jacobson LC, Molinero V. Jacobson LC, et al. Among authors: molinero v. J Phys Chem B. 2010 Jun 3;114(21):7302-11. doi: 10.1021/jp1013576. J Phys Chem B. 2010. PMID: 20462253
The model is based on the monatomic model of water mW [Molinero, V.; Moore, E. B. J. Phys. Chem. B 2009, 113, 4008] and is between 2 and 3 orders of magnitude more computationally efficient than atomistic models with Ewald sums. ...
The model is based on the monatomic model of water mW [Molinero, V.; Moore, E. B. J. Phys. Chem. B 2009, 113, 4008] and is bet …
A coarse-grained model of DNA with explicit solvation by water and ions.
DeMille RC, Cheatham TE 3rd, Molinero V. DeMille RC, et al. Among authors: molinero v. J Phys Chem B. 2011 Jan 13;115(1):132-42. doi: 10.1021/jp107028n. Epub 2010 Dec 14. J Phys Chem B. 2011. PMID: 21155552 Free PMC article.
To this end, we combined two established CG models; the recently developed mW-ion model [DeMille, R. C.; Molinero, V. J. Chem. Phys. 2009, 131, 034107], which reproduces the structure of aqueous ionic solutions without electrostatic interactions, was coupled to the …
To this end, we combined two established CG models; the recently developed mW-ion model [DeMille, R. C.; Molinero, V. J. Chem. …
117 results