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Assessing protein-ligand binding modes with computational tools: the case of PDE4B
(Springer, 2017)
In a first step in the discovery of novel potent inhibitor structures for the PDE4B family with limited side effects we present a protocol to rank newly designed molecules through the estimation of their IC values. Our ...
Correlation of Experimental Liquid-Liquid Equilibrium Data for Ternary Systems Using NRTL and GMDH-Type Neural Network
(Amer Chemical Soc, 2017)
In this work liquid liquid equilibrium (LLE) data for the ternary systems (water + propionic acid + solvent) were experimentally obtained at atmospheric pressure and 298.2 K. The ternary systems show type-1 behavior of ...
On the classification of scalar evolution equations with non-constant separant
(IOP Publishing Ltd, 2017)
The ` separant' of the evolution equation u(t) = F where F is some differentiable function of the derivatives of u up to order m is the partial derivative partial derivative F/partial derivative u(m) where um u(m) = partial ...
Ranking Protein-Protein Binding Using Evolutionary Information and Machine Learning
(Association for Computing Machinery, 2017)
Discriminating native-like complexes from false-positives with high accuracy is one of the biggest challenges in protein-protein docking. The relationship between various favorable intermolecular interactions (e.g. Van ...
Dark Patches in Clustering
(IEEE, 2017)
This survey highlights issues in clustering which hinder in achieving optimal solution or generates inconsistent outputs. We called such malignancies as dark patches. We focus on the issues relating to clustering rather ...
Power Control and Resource Allocation in TDD-OFDM Based Femtocell Networks with Interference
(IEEE, 2017)
Femtocell technology is a promising solution for different dilemmas in cellular networks. In femtocell power control the interference experienced by the network is divided into two main tiers according to the type of network ...
An integrated approach to concept evaluation in a new product development
(Springer, 2016)
A new product development (NPD) process can be thought as a comprehensive process in which the design is progressively detailed through a series of phases. At the end of each phase a design review is held to approve the ...
Surfactant and Metal Ion Effects on the Mechanical Properties of Alginate Hydrogels
(Elsevier Science Bv, 2016)
This paper addresses the controlled variation of the mechanical properties of alginate gel beads by changing the alginate concentration or by adding different surfactants or cross-linking cations. Alginate beads containing ...
An intelligent approach to supplier evaluation in automotive sector
(Springer, 2016)
During the process of supplier evaluation selecting the best desirable supplier is one of the most critical problems of companies since improperly selected suppliers may cause losing time cost and market share of a company. ...
Investigation of Allosteric Coupling in Human Beta(2)-Adrenergic Receptor in the Presence of Intracellular Loop 3
(BMC, 2016)
Background: This study investigates the allosteric coupling that exists between the intra- and extracellular parts of human beta(2)-adrenergic receptor (beta(2)-AR) in the presence of the intracellular loop 3 (ICL3) which ...