Combining molecular dynamics simulations and experimental analyses in protein misfolding.
Sign Up to like & getrecommendations! Published in 2019 at "Advances in protein chemistry and structural biology"
DOI: 10.1016/bs.apcsb.2019.10.001
Abstract: The fold of a protein determines its function and its misfolding can result in loss-of-function defects. In addition, for certain proteins their misfolding can lead to gain-of-function toxicities resulting in protein misfolding diseases such as… read more here.
Keywords: protein misfolding; molecular dynamics; experimental analyses; combining molecular ... See more keywords
Morphology prediction of portlandite: Atomistic simulations and experimental research
Sign Up to like & getrecommendations! Published in 2020 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2019.144296
Abstract: Abstract Calcium hydroxide (CH), as a building material, can be useful for enhancing constructional efficiency, delaying steel corrosions and so on. Especially, its morphology can be significantly modified by admixtures, which could be a way… read more here.
Keywords: prediction portlandite; morphology prediction; morphology; portlandite atomistic ... See more keywords
Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Chemical Information and Modeling"
DOI: 10.1021/acs.jcim.2c00255
Abstract: Optimization of binding affinities for ligands to their target protein is a primary objective in rational drug discovery. Herein, we report on a collaborative study that evaluates various compounds designed to bind to the SET… read more here.
Keywords: experimental free; simulations experimental; binding free; ensemble simulations ... See more keywords
ArcSAR: Theory, Simulations, and Experimental Verification
Sign Up to like & getrecommendations! Published in 2017 at "IEEE Transactions on Microwave Theory and Techniques"
DOI: 10.1109/tmtt.2016.2613926
Abstract: ArcSAR is a ground-based synthetic aperture radar (GBSAR) that has recently been receiving increasing interest in the scientific literature. While the conventional GBSAR exploits the movement of an antenna along a linear rail to synthesize… read more here.
Keywords: arcsar; arcsar theory; experimental verification; simulations experimental ... See more keywords
Computer Simulations and Experimental Investigation of the Heterodyne Employing Printed Circuit Board With an Increased Resistance to Electrostatic Discharges
Sign Up to like & getrecommendations! Published in 2019 at "IEEE Transactions on Plasma Science"
DOI: 10.1109/tps.2019.2915522
Abstract: We have performed computer simulations and experimental studies of characteristics of a standard analog device—the heterodyne employing a printed circuit board (PCB) made from a composite dielectric with a controlled dark conductivity. Simulation results show… read more here.
Keywords: computer simulations; employing printed; printed circuit; simulations experimental ... See more keywords