Nanopublication for "Coarse-grained hybrid simulation of liposomes"

Figshare2014-09-23 更新2026-04-29 收录

数据链接：

https://figshare.com/articles/dataset/Nanopublication_for_Coarse_grained_hybrid_simulation_of_liposomes_/1036529 数据链接链接失效反馈

官方服务：

资源简介：

This dataset was automatically published through Linkitup by Marat Charlaganov

创建时间：

2014-09-23

compsciencelab/mdCATH

分子动力学

计算生物物理

mdCATH数据集包含5,398个CATH域的全原子系统，使用最先进的经典力场建模，并在五个温度（从320 K到450 K）下进行五次模拟。数据集的大小包括134,950条轨迹、62.6毫秒的总采样时间、11,671,592个原子、740,813个氨基酸、464纳秒的平均轨迹长度、2,162个原子的平均系统大小、137个氨基酸的平均域长度以及3.3 TB的总文件大小。

Hugging Face2024-11-30 更新560

Text S1 - In-silico Assessment of Protein-Protein Electron Transfer. A Case Study: Cytochrome c Peroxidase – Cytochrome c

蛋白质分子模拟

计算生物物理

Supporting information on preparation of the CcP/Cytc complex, MD simulation on the CcP/Cytc complex, QM/MM e-Pathway and ET parameters. (DOCX)

NIAID Data Ecosystem80

Nanosecond_Based单链核酸纳秒链动力学研究模型与代码数据

分子动力学模拟

计算生物物理

本数据集包含单链核酸（如dTab19、dA19、dC19、dT19、rA19、rC19、rU19）的纳秒链动力学研究相关文件，涵盖片段库、HCG模型、距离分布数据及BioEn重加权Fortran代码，支持核酸分子动力学模拟与分析。

海数据40

Grid convergence of PyGBe with immunoglobulin G near a charged surface

生物分子静电学

计算生物物理

This file bundgle contains data, running script and final plot of grid-convergence study for immunoglobulin G near a charged surface. The running script invokes the bioelectrostatics solver (PyGBe) wi

DataCite Commons2020-09-04 更新90

Improved Computation of Protein–Protein Relative Binding Energies with the Nwat-MMGBSA Method

蛋白质-配体结合预测

计算生物物理

A MMGBSA variant (here referred to as Nwat-MMGBSA), based on the inclusion of a certain number of explicit water molecules (Nwat) during the calculations, has been tested on a set of 20 protein–protei

Figshare2016-09-20 更新50

Nanopublication for "Coarse-grained hybrid simulation of liposomes"

资源简介：

相关数据集