Results 41 to 50 of about 28,481,965 (364)
Conformator: A Novel Method for the Generation of Conformer Ensembles
Journal of Chemical Information and Modeling, 2019 Computer-aided drug design methods such as docking, pharmacophore searching, 3D database searching, and the creation of 3D-QSAR models need conformational ensembles to handle the flexibility of small molecules.
Nils-Ole Friedrich +5 more
semanticscholar +1 more source
Numerical relativity with the conformal field equations [PDF]
, 2002 I discuss the conformal approach to the numerical simulation of radiating isolated systems in general relativity. The method is based on conformal compactification and a reformulation of the Einstein equations in terms of rescaled variables, the so ...
Husa, Sascha
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A dialética como discurso do método Dialetics as method working process
Tempo Social, 2005 Uma vertente da tradição marxista adota como critério de filiação a essa linhagem a fidelidade à metodologia de Marx. Este, no entanto, não escreveu nada semelhante a um tratado sobre o método.
Ricardo Musse
doaj +1 more source
Images, 2021 The article probes the intermedial structure of the skeuomorphic interface in Pathfinder: Kingmaker. The author indicates that intermedia research in game studies is often diachronically limited, focusing on material and semiotic interactions between ...
Michał Dawid Żmuda
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International Journal for Numerical Methods in Fluids, 2020 A three‐level explicit time‐split MacCormack method is proposed for solving the two‐dimensional nonlinear reaction‐diffusion equations. The computational cost is reduced thank to the splitting and the explicit MacCormack scheme.
E. Ngondiep +3 more
semanticscholar +1 more source
An Open Framework for Extensible Multi-Stage Bioinformatics Software [PDF]
, 2012 In research labs, there is often a need to customise software at every step in a given bioinformatics workflow, but traditionally it has been difficult to obtain both a high degree of customisability and good performance.
Bellgard, Matthew +3 more
core +2 more sources
Precise response functions in all-electron methods: Application to the optimized-effective-potential approach [PDF]
, 2012 The optimized-effective-potential (OEP) method is a special technique to construct local Kohn-Sham potentials from general orbital-dependent energy functionals. In a recent publication [M. Betzinger, C. Friedrich, S. Bl\"ugel, A. G\"orling, Phys. Rev.
Betzinger, Markus +3 more
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Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce4[Si4O3 + xN7 − x]Cl1 − xOx, x≃0.2 [PDF]
, 2006 The structural compression mechanism of Ce4[Si4O3 + xN7 − x]Cl1 − xOx, x≃ 0.2, was investigated by in situ single-crystal synchrotron X-ray diffraction at pressures of 3.0, 8.5 and 8.6 GPa using the diamond–anvil cell technique.
Friedrich, Alexandra +6 more
core +1 more source
Molecular rheotaxis directs DNA migration and concentration against a pressure-driven flow
Nature Communications, 2017 Implementing a nucleic acid preconcentration method can improve the sensitivity of microfluidic analysis systems. Here Friedrich et al. concentrate DNA by many orders of magnitude using pressure-driven flow, which could lead to a simple and practical ...
Sarah M. Friedrich +4 more
doaj +1 more source
Fine-grained Language Composition: A Case Study [PDF]
, 2016 Although run-time language composition is common, it normally takes the form of a crude Foreign Function Interface (FFI). While useful, such compositions tend to be coarse-grained and slow.
Barrett, Edd +3 more
core +3 more sources