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Toward in vivo-relevant hERG safety assessment and mitigation strategies based on relationships between non-equilibrium blocker binding, three-dimensional channel-blocker interactions, dynamic occupancy, dynamic exposure, and cellular arrhythmia
published 04 Nov 2020
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Kinetic analysis of hemoglobin detergency by probability density functional method
published 07 Aug 2020
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Organ preservation solution containing dissolved hydrogen gas from a hydrogen-absorbing alloy canister improves function of transplanted ischemic kidneys in miniature pigs
published 01 Oct 2019
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Inclusion of enclosed hydration effects in the binding free energy estimation of dopamine D3 receptor complexes
published 30 Sep 2019
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A molecular reconstruction approach to site-based 3D-RISM and comparison to GIST hydration thermodynamic maps in an enzyme active site
published 10 Jul 2019
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Perception accuracy, biases and path dependency in longitudinal social networks
published 18 Jun 2019
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In silico identification of genetic mutations conferring resistance to acetohydroxyacid synthase inhibitors: A case study of Kochia scoparia
published 07 May 2019
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QSAR analysis of immune recognition for triazine herbicides based on immunoassay data for polyclonal and monoclonal antibodies
published 03 Apr 2019
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Microscopic picture of water-ethylene glycol interaction near a model DNA by computer simulation: Concentration dependence, structure, and localized thermodynamics
published 14 Nov 2018
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Generating global network structures by triad types
published 30 May 2018
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Simultaneous determination of trace rare-earth elements in simulated water samples using ICP-OES with TODGA extraction/back-extraction
published 25 Sep 2017
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QM/MM simulations provide insight into the mechanism of bioluminescence triggering in ctenophore photoproteins
published 04 Aug 2017
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Difficulties and flaws in performing accurate determinations of zeta potentials of metal nanoparticles in complex solutions—Four case studies
published 27 Jul 2017
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