PACKMOL- GUI: An All-in-One VMD Interface for Efficient Molecular Packing

Autor: Huang, Jian, Wu, Chenchen, Yang, Xiner, Yang, Zaixing, Liu, Shengtang, Yu, Gang

PACKMOL is a widely utilized molecular modeling tool within the computational chemistry community. However, its perceivable advantages have been impeded by the long-standing lack of a robust open-source graphical user interface (GUI) that integrates

Externí odkaz: http://arxiv.org/abs/2408.12624

Rational Design of Dual-Functionalized Gd@C82Nanoparticles to Relieve Neuronal Cytotoxicity in Alzheimer’s Disease via Inhibition of Aβ Aggregation

Autor: Yin, Xiuhua, Zhou, Hong, Cao, Tiantian, Yang, Xiner, Meng, Fei, Dai, Xing, Wang, Yifan, Li, Sijie, Zhai, Wangsong, Yang, Zaixing, Chen, Ning, Zhou, Ruhong

Publikováno v: ACS Nano; June 2024, Vol. 18 Issue: 24 p15416-15431, 16p

Rational Design of Dual-Functionalized Gd@C 82 Nanoparticles to Relieve Neuronal Cytotoxicity in Alzheimer's Disease via Inhibition of Aβ Aggregation.

Autor: Yin X; Institute of Quantitative Biology, Shanghai Institute for Advanced Study, College of Life Sciences, Zhejiang University, Hangzhou 310027, China.; State Key Laboratory of Radiation Medicine and Protection, School for Radiological and Interdisciplinary Sciences (RAD-X), Soochow University, Suzhou 215123, China., Zhou H; Institute of Quantitative Biology, Shanghai Institute for Advanced Study, College of Life Sciences, Zhejiang University, Hangzhou 310027, China., Cao T; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123, China.; Suzhou Institute of Trade and Commerce, Suzhou 215009, China., Yang X; State Key Laboratory of Radiation Medicine and Protection, School for Radiological and Interdisciplinary Sciences (RAD-X), Soochow University, Suzhou 215123, China., Meng F; State Key Laboratory of Radiation Medicine and Protection, School for Radiological and Interdisciplinary Sciences (RAD-X), Soochow University, Suzhou 215123, China., Dai X; State Key Laboratory of Radiation Medicine and Protection, School for Radiological and Interdisciplinary Sciences (RAD-X), Soochow University, Suzhou 215123, China., Wang Y; State Key Laboratory of Radiation Medicine and Protection, School for Radiological and Interdisciplinary Sciences (RAD-X), Soochow University, Suzhou 215123, China., Li S; State Key Laboratory of Radiation Medicine and Protection, School for Radiological and Interdisciplinary Sciences (RAD-X), Soochow University, Suzhou 215123, China., Zhai W; State Key Laboratory of Radiation Medicine and Protection, School for Radiological and Interdisciplinary Sciences (RAD-X), Soochow University, Suzhou 215123, China., Yang Z; Institute of Quantitative Biology, Shanghai Institute for Advanced Study, College of Life Sciences, Zhejiang University, Hangzhou 310027, China.; State Key Laboratory of Radiation Medicine and Protection, School for Radiological and Interdisciplinary Sciences (RAD-X), Soochow University, Suzhou 215123, China., Chen N; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123, China., Zhou R; Institute of Quantitative Biology, Shanghai Institute for Advanced Study, College of Life Sciences, Zhejiang University, Hangzhou 310027, China.; Department of Chemistry, Columbia University, New York, New York 10027, United States.

Publikováno v: ACS nano [ACS Nano] 2024 Jun 18; Vol. 18 (24), pp. 15416-15431. Date of Electronic Publication: 2024 Jun 05.