Results 81 to 90 of about 26,891,998 (226)

Lipophilicity in molecular modeling.

Pharmaceutical research, 1996
The molecular lipophilicity potential (MLP) offers a three-dimensional representation of lipophilicity, a molecular property encoding intermolecular recognition and intramolecular interactions.The interest and applications of the MLP in molecular modeling are varied, as illustrated here.The MLP is a major tool to assess the dependence of lipophilicity ...
Testa, Bernard, Carrupt, Pierre-Alain, Gaillard, Patrick, Billois, F., Weber, P.   +4 more
openaire   +4 more sources

Phase behaviour and dynamics in primitive models of molecular ionic liquids [PDF]

, 2011
The phase behaviour and dynamics of molecular ionic liquids are studied using primitive models and extensive computer simulations. The models account for size disparity between cation and anion, charge location on the cation, and cation-shape anisotropy,
Camp, P. J., Ganzenmüller, G. C.
core   +4 more sources

Cytoscape: a software environment for integrated models of biomolecular interaction networks.

Genome Research, 2003
Cytoscape is an open source software project for integrating biomolecular interaction networks with high-throughput expression data and other molecular states into a unified conceptual framework.
Paul Shannon, Andrew Markiel, Owen Ozier, N. Baliga, Jonathan T Wang, Daniel Ramage, Nada Amin, Benno Schwikowski, T. Ideker   +8 more
semanticscholar   +1 more source

Molecular Modeling in Drug Design [PDF]

Molecules, 2019
This Special Issue contains thirteen articles that provide a vivid snapshot of the state-of-the-art of molecular modeling in drug design, illustrating recent advances and critically discussing important challenges [...]
Outi M. H. Salo-Ahen, Rebecca C. Wade, Rebecca C. Wade   +2 more
openaire   +5 more sources

Early transcriptional and cellular abnormalities in choroid plexus of a mouse model of Alzheimer’s disease

Molecular Neurodegeneration
Background Alzheimer’s disease (AD) is a progressive neurodegenerative disorder characterized by the accumulation of amyloid-β plaques, tau hyperphosphorylation, and neuroinflammation.
Zhong-Jiang Yan, Maosen Ye, Jiexi Li, Deng-Feng Zhang, Yong-Gang Yao   +4 more
doaj   +1 more source

MEGA4: Molecular Evolutionary Genetics Analysis (MEGA) software version 4.0.

Molecular biology and evolution, 2007
We announce the release of the fourth version of MEGA software, which expands on the existing facilities for editing DNA sequence data from autosequencers, mining Web-databases, performing automatic and manual sequence alignment, analyzing sequence ...
K. Tamura, J. Dudley, M. Nei, Sudhir Kumar   +3 more
semanticscholar   +1 more source

Molecular Models of Nanodiscs

Journal of Chemical Theory and Computation, 2015
Nanodiscs are discoloidal protein-lipid particles that self-assemble from a mixture of lipids and membrane scaffold proteins. They form a highly soluble membrane mimetic that closely resembles a native-like lipid environment, unlike micelles. Nanodiscs are widely used for experimental studies of membrane proteins.
Iwona Siuda, D. Peter Tieleman
openaire   +3 more sources

Molecular Model of the Contractile Ring [PDF]

Physical Review Letters, 2005
PACS numbers: 87.16.Ka, 87.16.Ac http://www.ncbi.nlm.nih.gov/pubmed/16197254 http://www.weizmann.ac.il/complex/tlusty/papers/PhysRevLett2005 ...
Biron, D, Alvarez-Lacalle, E, Tlusty, T, Moses, E   +3 more
openaire   +5 more sources

Towards a Cure for Diamond–Blackfan Anemia: Views on Gene Therapy

Cells
Diamond–Blackfan anemia (DBA) is a rare genetic disorder affecting the bone marrow’s ability to produce red blood cells, leading to severe anemia and various physical abnormalities.
Matilde Vale, Jan Prochazka, Radislav Sedlacek   +2 more
doaj   +1 more source

Turbulent Driving Scales in Molecular Clouds

, 2009
Supersonic turbulence in molecular clouds is a dominant agent that strongly affects the clouds' evolution and star formation activity. Turbulence may be initiated and maintained by a number of processes, acting at a wide range of physical scales.
Anathpindika, Ballesteros-Paredes, Ballesteros-Paredes, Bally, Banerjee, Basu, Bergin, Brunt, Brunt, Brunt, Brunt, Brunt, C. M. Brunt, Dale, Dobbs, Elmegreen, Elmegreen, Falgarone, Glover, Goldsmith, Hartmann, Heitsch, Heyer, Heyer, Heyer, Heyer, Kim, Klessen, Knee, Koda, Larson, Lazarian, Lazarian, M. H. Heyer, M.-M. Mac Low, Mac Low, Mac Low, Mac Low, Matzner, Miesch, Offner, Ossenkopf, Ostriker, Pan, Price, Quillen, Ridge, Ridge, Rosolowsky, Scalo, Schneider, Shu, Stone, Stone, Stone, Swift, Walawender   +56 more
core   +1 more source