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How an Inhibitor Bound to Subunit Interface Alters Triosephosphate Isomerase Dynamics
(Cell Press, 2015)
The tunnel region at triosephosphate isomerase (TIM)'s dimer interface distant from its catalytic site is a target site for certain benzothiazole derivatives that inhibit TIM's catalytic activity in Trypanosoma cruzi the ...
SiPAN: simultaneous prediction and alignment of protein-protein interaction networks
(Oxford University Press, 2015)
Motivation: Network prediction as applied to protein-protein interaction (PPI) networks has received considerable attention within the last decade. Because of the limitations of experimental techniques for interaction ...
SPINAL: scalable protein interaction network alignment
(Oxford University Press, 2013)
Motivation: Given protein-protein interaction (PPI) networks of a pair of species a pairwise global alignment corresponds to a one-to-one mapping between their proteins. Based on the presupposition that such a mapping ...
Computational Analysis of a Zn-Bound Tris(imidazolyl) Calix[6]arene Aqua Complex: Toward Incorporating Second-Coordination Sphere Effects into Carbonic Anhydrase Biomimetics
(Amer Chemical Soc, 2013)
Molecular dynamics simulations and quantum-mechanical calculations were performed to characterize a supra-molecular tris(imidazolyl) calix[6]arene Zn2+ aqua complex as a biomimetic model for the catalyzed hydration of ...
Crossover from Vibrational to Rotational Collectivity in Heavy Nuclei in the Shell-Model Monte Carlo Approach
(Amer Physical Soc., 2013)
Heavy nuclei exhibit a crossover from vibrational to rotational collectivity as the number of neutrons or protons increases from shell closure towards midshell but the microscopic description of this crossover has been a ...
A Wrench in the Works of Human Acetylcholinesterase: Soman Induced Conformational Changes Revealed by Molecular Dynamics Simulations
(Public Library Science, 2015)
Irreversible inactivation of human acetylcholinesterase (hAChE) by organophosphorous pesticides (OPs) and chemical weapon agents (CWA) has severe morbidity and mortality consequences. We present data from quantum ...
Financial Literacy among Turkish College Students: The Role of Formal Education, Learning Approaches, and Parental Teaching
(Ammons Scientific Ltd, 2014)
This study assessed financial literacy and its correlates among Turkish college students with special emphasis on the role of formal education learning approaches and parental influences. Financial literacy was measured ...
Relative group size and minority school success: The role of intergroup friendship and discrimination experiences
(Wiley-Blackwell, 2014)
From an intergroup relations perspective relative group size is associated with the quantity and quality of intergroup contact: more positive contact (i.e. intergroup friendship) supports and negative contact (i.e. experienced ...
Reliability-Oriented bioinformatic networks visualization
(Oxford University Press, 2011)
We present our protein-protein interaction (PPI) network visualization system RobinViz (reliability-oriented bioinformatic networks visualization). Clustering the PPI network based on gene ontology (GO) annotations or ...
BEAMS: backbone extraction and merge strategy for the global many-to-many alignment of multiple PPI networks
(Oxford University Press, 2014)
Motivation: Global many-to-many alignment of biological networks has been a central problem in comparative biological network studies. Given a set of biological interaction networks the informal goal is to group together ...