scholarly journals Binding Analysis Using Accelerated Molecular Dynamics Simulations and Future Perspectives

2022 ◽  
Vol Volume 15 ◽  
pp. 1-19
Author(s):  
Shristi Pawnikar ◽  
Apurba Bhattarai ◽  
Jinan Wang ◽  
Yinglong Miao
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Future Perspectives ◽  
Accelerated Molecular Dynamics ◽  
Binding Analysis ◽  
Dynamics Simulations

scholarly journals Nanoengineering in biomedicine: Current development and future perspectives

2020 ◽  
Vol 9 (1) ◽  
pp. 700-715 ◽  
Author(s):  
Wei Jian ◽  
David Hui ◽  
Denvid Lau
Keyword(s):  
Molecular Dynamics ◽  
Research And Development ◽  
Molecular Dynamics Simulations ◽  
Material Properties ◽  
Biomedical Applications ◽  
Metallic Materials ◽  
Future Perspectives ◽  
Current Development ◽  
Materials Used ◽  
Dynamics Simulations

AbstractRecent advances in biomedicine largely rely on the development in nanoengineering. As the access to unique properties in biomaterials is not readily available from traditional techniques, the nanoengineering becomes an effective approach for research and development, by which the performance as well as the functionalities of biomaterials has been greatly improved and enriched. This review focuses on the main materials used in biomedicine, including metallic materials, polymers, and nanocomposites, as well as the major applications of nanoengineering in developing biomedical treatments and techniques. Research that provides an in-depth understanding of material properties and efficient enhancement of material performance using molecular dynamics simulations from the nanoengineering perspective are discussed. The advanced techniques which facilitate nanoengineering in biomedical applications are also presented to inspire further improvement in the future. Furthermore, the potential challenges of nanoengineering in biomedicine are evaluated by summarizing concerned issues and possible solutions.

scholarly journals Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation

2014 ◽  
Vol 10 (7) ◽  
pp. 2677-2689 ◽  
Author(s):  
Yinglong Miao ◽  
William Sinko ◽  
Levi Pierce ◽  
Denis Bucher ◽  
Ross C. Walker ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Molecular Dynamics Simulations ◽  
Free Energy Calculation ◽  
Energy Calculation ◽  
Accelerated Molecular Dynamics ◽  
Dynamics Simulations
Sign in / Sign up

Export Citation Format

Share Document