1,720,980 research outputs found
Predicting the dielectric nonlinearity of anisotropic composite materials via tensorial analysis
No full textTwo dimensional random lattice networks: a model for heterogeneous films coupled to a substrate
No full textCombined atomistic and continuum methods to map electric properties of nanostructured carbon films
No full textMolecular Dynamics-Based Approaches Describing Protein Binding
Full text linkBiomolecular recognition is at the heart of all biological processes that take place in living organisms. Understanding how a ligand binds to a biological receptor, how proteins interact with each other, how lipids and proteins aggregate in the cell membrane, and how these events trigger or block a wide range of biochemical reactions is of paramount importance, not only for the field of biophysics but also for other disciplines such as rational drug design. The first breakthrough in the theory of biomolecular recognition was provided by Fischer, who as early as 1894, proposed his popular lock-and-key model for ligand binding [1]. According to this model, which was originally developed in the context of enzyme catalysis, ligands involved in biological reactions fit perfectly into their targets like a key into a lock. In this process, no changes in conformations are allowed. Later, however, the lock-and-key model based on rigid body interactions between ligands and proteins was severely challenged by the conformational plasticity of macromolecules, as revealed by X-ray crystallography, nuclear magnetic resonance (NMR) spectroscopy, and single-molecule fluorescence detectio
Between algorithm and model: different Molecular Surface definitions for the Poisson-Boltzmann based electrostatic characterization of biomolecules in solution.
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Going Beyond Counting First Authors in Author Co-citation Analysis
Full text linkThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
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