Now showing items 1-10 of 52
Collectivity in Heavy Nuclei in the Shell Model Monte Carlo Approach
(EDP Sciences, 2014)
The microscopic description of collectivity in heavy nuclei in the framework of the configuration-interaction shell model has been a major challenge. The size of the model space required for the description of heavy nuclei ...
Level Densities of Heavy Nuclei in the Shell Model Monte Carlo Approach
(EDP Sciences, 2016)
Nuclear level densities are necessary input to the Hauser-Feshbach theory of compound nuclear reactions. However the microscopic calculation of level densities in the presence of correlations is a challenging many-body ...
Multifaceted Dynamics of Janus Oscillator Networks
(Amer Physical Soc., 2019)
Recent research has led to the discovery of fundamental new phenomena in network synchronization including chimera states explosive synchronization and asymmetry-induced synchronization. Each of these phenomena has thus ...
Discovery of new azoles with potent activity against Candida spp. and Candida albicans biofilms through virtual screening
Systemic candidiasis is a rampant bloodstream infection ofCandidaspp. andC. albicansis the majorpathogen isolated from infected humans. Azoles, the most common class of antifungals which sufferfrom increasing resistance, ...
Coulomb corrections in the lepton-pair production in ultrarelativistic nuclear collisions
(Amer Physical Soc., 2005)
We solve the perturbative electron-positron pair production exactly by calculating the second-order Feynman diagrams. We compare our result with Born methods that include Coulomb corrections. We find that a small-momentum ...
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 ...
Design and synthesis of novel 2-pyrazoline analogues and their hMAO inhibitory activities
[Abstract Not Available]
Computational Analysis of a Zn-Bound Tris(imidazolyl) Calixarene 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) calixarene 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 ...