Elia Schneider
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Explore the profile of Elia Schneider including associated specialties, affiliations and a list of published articles.
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Articles
8
Citations
185
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Recent Articles
1.
Groninger O, Hess S, Mohn D, Schneider E, Stark W, Marsmann S, et al.
Int J Mol Sci
. 2020 Apr;
21(7).
PMID: 32283864
The microenvironment of mesenchymal stem cells (MSCs) is responsible for the modulation in MSC commitment. Nanocomposites with an inorganic and an organic component have been investigated, and osteogenesis of MSCs...
2.
Cendagorta J, Tolpin J, Schneider E, Topper R, Tuckerman M
J Phys Chem B
. 2020 Apr;
124(18):3647-3660.
PMID: 32275148
Free energy surfaces of chemical and physical systems are often generated using a popular class of enhanced sampling methods that target a set of collective variables (CVs) chosen to distinguish...
3.
Rogal J, Schneider E, Tuckerman M
Phys Rev Lett
. 2020 Jan;
123(24):245701.
PMID: 31922858
The investigation of the microscopic processes underlying structural phase transformations in solids is extremely challenging for both simulation and experiment. Atomistic simulations of solid-solid phase transitions require extensive sampling of...
4.
Cuendet M, Margul D, Schneider E, Vogt-Maranto L, Tuckerman M
J Chem Phys
. 2018 Aug;
149(7):072316.
PMID: 30134695
A method for calculating the free energy difference between two structurally defined conformational states of a chemical system is developed. A path is defined using a previously reported collective variable...
5.
Schneider E, Dai L, Topper R, Drechsel-Grau C, Tuckerman M
Phys Rev Lett
. 2017 Oct;
119(15):150601.
PMID: 29077427
The generation of free energy landscapes corresponding to conformational equilibria in complex molecular systems remains a significant computational challenge. Adding to this challenge is the need to represent, store, and...
6.
Shtukenberg A, Zhu Q, Carter D, Vogt L, Hoja J, Schneider E, et al.
Chem Sci
. 2017 Sep;
8(7):4926-4940.
PMID: 28959416
Coumarin, a simple, commodity chemical isolated from beans in 1820, has, to date, only yielded one solid state structure. Here, we report a rich polymorphism of coumarin grown from the...
7.
Exploring polymorphism of benzene and naphthalene with free energy based enhanced molecular dynamics
Schneider E, Vogt L, Tuckerman M
Acta Crystallogr B Struct Sci Cryst Eng Mater
. 2016 Aug;
72(Pt 4):542-50.
PMID: 27484375
Prediction and exploration of possible polymorphism in organic crystal compounds are of great importance for industries ranging from organic electronics to pharmaceuticals to high-energy materials. Here we apply our crystal...
8.
Reilly A, Cooper R, Adjiman C, Bhattacharya S, Daniel Boese A, Brandenburg J, et al.
Acta Crystallogr B Struct Sci Cryst Eng Mater
. 2016 Aug;
72(Pt 4):439-59.
PMID: 27484368
The sixth blind test of organic crystal structure prediction (CSP) methods has been held, with five target systems: a small nearly rigid molecule, a polymorphic former drug candidate, a chloride...