https://github.com/liyigerry/gp120

Data, methods and code for research on the molecular dynamics of HIV glycoprotein gp120
https://github.com/liyigerry/gp120

gp120 markov-state-model molecular-dynamics simulation

Last synced: about 1 month ago
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Data, methods and code for research on the molecular dynamics of HIV glycoprotein gp120

• Host: GitHub
• URL: https://github.com/liyigerry/gp120
• Owner: liyigerry
• Created: 2018-04-24T07:02:46.000Z (almost 7 years ago)
• Default Branch: master
• Last Pushed: 2020-03-21T11:58:48.000Z (almost 5 years ago)
• Last Synced: 2024-11-05T18:35:15.602Z (3 months ago)
• Topics: gp120, markov-state-model, molecular-dynamics, simulation
• Homepage:
• Size: 459 MB
• Stars: 2
• Watchers: 2
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

Awesome Lists containing this project

README

        
# Molecular dynamics simulations of HIV glycoprotein gp120

### There are some research on the molecular dynamics of HIV glycoprotein gp120.

| No. | Year | Journal | IF | Res | DOI |

| :---: | :---: | :---:| :---: | :---: | :--- |

| 1 | 2018 | RSC Advances | 3.049 | [pdf](./Neutralization/2018_RSC.pdf) [files](./Neutralization) | [10.1039/C8RA00425K](https://doi.org/10.1039/C8RA00425K) |

| 2 | 2019 | International Journal of Molecular Sciences | 4.183 | [pdf](./Effects/2019_IJMS.pdf) [files](./Effects) | [10.3390/ijms20020260](https://doi.org/10.3390/ijms20020260) |

| 3 | 2020 | BBA–Biomembranes | 3.79 | [pdf](./Barrier/2020_BBA.pdf) [files](./Barrier) | [10.1016/j.bbamem.2020.183217](https://doi.org/10.1016/j.bbamem.2020.183217) |

| 4 | 2020 | Physical Chemistry Chemical Physics | 3.567 | [pdf](./Distinct/2020_PCCP.pdf) [files](./Distinct) | [10.1039/c9cp06706j](https://doi.org/10.1039/c9cp06706j) |

1. Insights into molecular mechanism underlying CD4 dependency and neutralization sensitivity of HIV-1: a comparative molecular dynamics study on gp120s from isolates with different phenotypes

2. Effects of CD4 binding on conformational dynamics, molecular motions, and thermodynamics of HIV-1 gp120

3. CD4-binding obstacles in conformational transitions and allosteric communications of HIV gp120

4. Molecular dynamics simulations reveal distinct differences in conformational dynamics and thermodynamics between the unliganded and CD4-bound states of HIV-1 gp120