Results 251 to 260 of about 50,053 (275)

Impact Desolvation of Polymers Embedded in Nanodroplets

The Journal of Physical Chemistry B, 2011
Using molecular dynamics simulation, we study the desolvation process of a polymer-loaded droplet after collision with a wall. The energy and time dependence of the process is analyzed for various droplet-polymer combinations. By changing droplet size, polymer size, solvent, and polymer species, separately, we can assess the influence of these factors ...
Si Neng, Sun, Herbert M, Urbassek
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Dynamics of Hydrogen Bond Desolvation in Protein Folding

Journal of Molecular Biology, 2002
As proteins fold, a progressive structuring, immobilization and eventual exclusion of water surrounding backbone hydrogen bonds takes place. This process turns hydrogen bonds into major determinants of the folding pathway and compensates for the penalty of desolvation of the backbone polar groups. Taken as an average over all hydrogen bonds in a native
Ariel, Fernández, Tobin R, Sosnick, Andrés, Colubri   +2 more
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Albumin nanoparticles with predictable size by desolvation procedure

Journal of Microencapsulation, 2012
Nanoparticles prepared of human serum albumin (HSA) represent promising carriers for drug delivery. Desolvating procedure is a common method to obtain protein-based particles. However process parameters have a great influence on size, size distribution and particle yield of the resulting formulation.
B von, Storp, A, Engel, A, Boeker, M, Ploeger, K, Langer   +4 more
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Desolvation process and surface characteristics of HSA-nanoparticles

International Journal of Pharmaceutics, 2000
The objective of the present study was to characterise and optimise the desolvation process of human serum albumin (HSA) for the preparation of nanoparticles. Following the desolvation of the protein, the resulting nanoparticles were stabilised by the addition of varying amounts of glutaraldehyde.
C, Weber, J, Kreuter, K, Langer
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Rapid Context-Dependent Ligand Desolvation in Molecular Docking

Journal of Chemical Information and Modeling, 2010
In structure-based screens for new ligands, a molecular docking algorithm must rapidly score many molecules in multiple configurations, accounting for both the ligand's interactions with receptor and its competing interactions with solvent. Here we explore a context-dependent ligand desolvation scoring term for molecular docking.
Michael M, Mysinger, Brian K, Shoichet
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Formation of Isomorphic Desolvates: Creating a Molecular Vacuum

Journal of Pharmaceutical Sciences, 1998
The objective of this work was to investigate a common but poorly understood category of crystalline organic substances: isomorphic desolvates. When solvent is lost from a crystal lattice but the lattice retains its three-dimensional order, a lattice is created which is in a high-energy state relative to the original solvate structure.
G A, Stephenson, E G, Groleau, R L, Kleemann, W, Xu, D R, Rigsbee   +4 more
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Desolvation process and surface characterisation of protein nanoparticles

International Journal of Pharmaceutics, 2000
The objective of the present study was to characterise and optimise the desolvation process of human serum albumin (HSA) for the preparation of nanoparticles and to characterise the resulting colloidal system. Following the desolvation of the protein, the resulting nanoparticles were stabilised by the addition of varying amounts of glutaraldehyde or by
C, Weber, C, Coester, J, Kreuter, K, Langer   +3 more
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Sample Desolvation for Laser-Enhanced Ionization Spectrometry

Analytical Chemistry, 1985
Utilisation d'un bruleur a consommation totale avec predesolvatation de volumes d'echantillon discrets dans un microcondenseur ou dans un four graphite ...
Joan E. Hall, Robert B. Green
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Investigation of desolvation process in lanthanide dinicotinates

Journal of Thermal Analysis and Calorimetry, 2010
The desolvation process in lanthanide pyridine-3,5-dicarboxylates of the formulae [Tb2pdc3(dmf)2]·dmf (1), [Ho2pdc3(dmf)2]·dmf (2), [Erdc3(dmf)2]·dmf (3), and [Yb2pdc3(dmf)2]·dmf (4) where pdc-C5H3N(COO) 2 2− , dmf-N,N′-dimethylformamide) has been investigated by means of the TG–DSC, TG–FTIR, IR and ...
R. Łyszczek, M. Iwan
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Improving CAPRI predictions: Optimized desolvation for rigid‐body docking

Proteins: Structure, Function, and Bioinformatics, 2005
AbstractThe ICM Docking and Interface Side‐Chain Optimization (ICM‐DISCO) showed promising predictive results during the first CAPRI experiment by successfully finding medium‐ or high‐accuracy models in 3 of the 7 targets. A key factor was the ability to recognize near‐native rigid‐body geometries in a relatively low number of alternative docking poses,
Juan, Fernández-Recio, Ruben, Abagyan, Maxim, Totrov   +2 more
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