Zhiyong Yang
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View article: The Impact of ESG on the Cost of Equity Financing Evidence from China
The Impact of ESG on the Cost of Equity Financing Evidence from China Open
This paper delves into the impact of environmental, societal, and governance (ESG) excellence at the expense of equity capital. This research scrutinises the correlation between the costs associated with equity funding and ESG excellence b…
View article: The Role of Al/Ti in Precipitate-Strengthened and Austenite-Toughened Co-Free Maraging Stainless Steel
The Role of Al/Ti in Precipitate-Strengthened and Austenite-Toughened Co-Free Maraging Stainless Steel Open
The strength of ultra-low carbon maraging stainless steels can be significantly enhanced by precipitating nanoscale intermetallic secondary phases. Retained or reversed austenite in the steel can improve its toughness, which is key to achi…
View article: Conformational Transition of Semiflexible Ring Polyelectrolyte in Tetravalent Salt Solutions: A Simple Numerical Modeling without the Effect of Twisting
Conformational Transition of Semiflexible Ring Polyelectrolyte in Tetravalent Salt Solutions: A Simple Numerical Modeling without the Effect of Twisting Open
In this work, the conformational behaviors of ring polyelectrolyte in tetravalent salt solutions are discussed in detail through molecular dynamics simulation. For simplification, here we have neglected the effect of the twisting interacti…
View article: Dynamics of semiflexible ring polymer in chiral Brownian particles bath
Dynamics of semiflexible ring polymer in chiral Brownian particles bath Open
Molecular dynamics simulations are used to investigate the dynamic behavior of ring polymer in a bath containing a high concentration of chiral Brownian particles. The chiral Brownian particles around the chain drive the ring polymer to de…
View article: Binding selectivity-dependent molecular mechanism of inhibitors towards CDK2 and CDK6 investigated by multiple short molecular dynamics and free energy landscapes
Binding selectivity-dependent molecular mechanism of inhibitors towards CDK2 and CDK6 investigated by multiple short molecular dynamics and free energy landscapes Open
Understanding selectivity-dependent molecular mechanism of inhibitors towards CDK2 over CDK6 is prominent for improving drug design towards the CDK family. Multiple short molecular dynamics (MD) simulations combined with MM-GBSA approach a…
View article: A Trefoil Knot Polymer Chain Translocates through a Funnel-like Channel: A Multi-Particle Collision Dynamics Study
A Trefoil Knot Polymer Chain Translocates through a Funnel-like Channel: A Multi-Particle Collision Dynamics Study Open
With combining multi-particle collision dynamics (MPCD) for the solvent and molecular dynamics (MD) for the polymer chains, we have studied the conformation and untying behaviors of a trefoil knot polymer chain translocated through a confi…
View article: Vesicle Geometries Enabled by Semiflexible Polymer
Vesicle Geometries Enabled by Semiflexible Polymer Open
Understanding and controlling vesicle shapes is fundamental challenge in biophysics and materials design. In this paper, we employ the Monte Carlo method to investigate the shape of soft vesicle induced by semiflexible polymer outside in t…
View article: Theoretical exploration of the binding selectivity of inhibitors to BRD7 and BRD9 with multiple short molecular dynamics simulations
Theoretical exploration of the binding selectivity of inhibitors to BRD7 and BRD9 with multiple short molecular dynamics simulations Open
Bromodomains (BRDs) are structurally conserved epigenetic reader modules observed in numerous chromatin- and transcription-associated proteins that have a capability to identify acetylated lysine residues.
View article: Binding Selectivity of Inhibitors toward Bromodomains BAZ2A and BAZ2B Uncovered by Multiple Short Molecular Dynamics Simulations and MM-GBSA Calculations
Binding Selectivity of Inhibitors toward Bromodomains BAZ2A and BAZ2B Uncovered by Multiple Short Molecular Dynamics Simulations and MM-GBSA Calculations Open
Two Bromodomain-Containing proteins BAZ2A and BAZ2B are responsible for remodeling chromatin and regulating noncoding RNAs. As for our current studies, integration of multiple short molecular dynamics simulations (MSMDSs) with molecular me…
View article: Binding selectivity of inhibitors toward the first over the second bromodomain of BRD4: theoretical insights from free energy calculations and multiple short molecular dynamics simulations
Binding selectivity of inhibitors toward the first over the second bromodomain of BRD4: theoretical insights from free energy calculations and multiple short molecular dynamics simulations Open
Hydrogen bonding interactions of waters with BD1/BD2 and inhibitors play significant roles in inhibitor bindings.
View article: Effect of polymer rigidity on the phase behaviour of polymer adsorption on to planar surface
Effect of polymer rigidity on the phase behaviour of polymer adsorption on to planar surface Open
We study the process of a semiflexible polymer chain adsorption on to planar surface by the dynamic Monte Carlo (DMC) method, based on the 3D off-lattice model. Both the strength of attractive monomer–surface interaction (εa) and bending e…
View article: The Semiflexible Polymer Translocation into Laterally Unbounded Region between Two Parallel Flat Membranes
The Semiflexible Polymer Translocation into Laterally Unbounded Region between Two Parallel Flat Membranes Open
Using the dynamic Monte Carlo method, we investigate dynamics of semiflexible polymer translocation through a nanopore into laterally unbounded region between two parallel flat membranes with separation R in presence of an electric field i…