日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Acceleration without Disruption: DFT Software as a Service

无中断加速:DFT 软件即服务

Ju, Fusong; Wei, Xinran; Huang, Lin; Jenkins, Andrew J; Xia, Leo; Zhang, Jia; Zhu, Jianwei; Yang, Han; Shao, Bin; Dai, Peggy; Williams-Young, David B; Mayya, Ashwin; Hooshmand, Zahra; Efimovskaya, Alexandra; Baker, Nathan A; Troyer, Matthias; Liu, Hongbin

Visualizing biomolecular electrostatics in virtual reality with UnityMol-APBS

利用 UnityMol-APBS 在虚拟现实中可视化生物分子静电学

Laureanti, Joseph; Brandi, Juan; Offor, Elvis; Engel, David; Rallo, Robert; Ginovska, Bojana; Martinez, Xavier; Baaden, Marc; Baker, Nathan A

Data-driven molecular modeling with the generalized Langevin equation

利用广义朗之万方程进行数据驱动的分子建模

Grogan, Francesca; Lei, Huan; Li, Xiantao; Baker, Nathan A

A clustering-based biased Monte Carlo approach to protein titration curve prediction

一种基于聚类的偏蒙特卡罗方法用于蛋白质滴定曲线预测

Sathanur, Arun V; Baker, Nathan A

Atomic Radius and Charge Parameter Uncertainty in Biomolecular Solvation Energy Calculations

生物分子溶剂化能计算中原子半径和电荷参数的不确定性

Yang, Xiu; Lei, Huan; Gao, Peiyuan; Thomas, Dennis G; Mobley, David L; Baker, Nathan A

Improvements to the APBS biomolecular solvation software suite

APBS生物分子溶剂化软件套件的改进

Jurrus, Elizabeth; Engel, Dave; Star, Keith; Monson, Kyle; Brandi, Juan; Felberg, Lisa E; Brookes, David H; Wilson, Leighton; Chen, Jiahui; Liles, Karina; Chun, Minju; Li, Peter; Gohara, David W; Dolinsky, Todd; Konecny, Robert; Koes, David R; Nielsen, Jens Erik; Head-Gordon, Teresa; Geng, Weihua; Krasny, Robert; Wei, Guo-Wei; Holst, Michael J; McCammon, J Andrew; Baker, Nathan A

Bayesian Model Averaging for Ensemble-Based Estimates of Solvation-Free Energies

基于集合的溶剂化自由能估计的贝叶斯模型平均法

Gosink, Luke J; Overall, Christopher C; Reehl, Sarah M; Whitney, Paul D; Mobley, David L; Baker, Nathan A

The Role of Correlation and Solvation in Ion Interactions with B-DNA

相关和溶剂化在离子与B-DNA相互作用中的作用

Sushko, Maria L; Thomas, Dennis G; Pabit, Suzette A; Pollack, Lois; Onufriev, Alexey V; Baker, Nathan A

Multi-shell model of ion-induced nucleic acid condensation

离子诱导核酸凝聚的多壳层模型

Tolokh, Igor S; Drozdetski, Aleksander V; Pollack, Lois; Baker, Nathan A; Onufriev, Alexey V

Energy Minimization of Discrete Protein Titration State Models Using Graph Theory

利用图论对离散蛋白质滴定状态模型进行能量最小化

Purvine, Emilie; Monson, Kyle; Jurrus, Elizabeth; Star, Keith; Baker, Nathan A