1. AmberTools
- Author
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Case, David A, Aktulga, Hasan Metin, Belfon, Kellon, Cerutti, David S, Cisneros, G Andrés, Cruzeiro, Vinícius Wilian D, Forouzesh, Negin, Giese, Timothy J, Götz, Andreas W, Gohlke, Holger, Izadi, Saeed, Kasavajhala, Koushik, Kaymak, Mehmet C, King, Edward, Kurtzman, Tom, Lee, Tai-Sung, Li, Pengfei, Liu, Jian, Luchko, Tyler, Luo, Ray, Manathunga, Madushanka, Machado, Matias R, Nguyen, Hai Minh, O’Hearn, Kurt A, Onufriev, Alexey V, Pan, Feng, Pantano, Sergio, Qi, Ruxi, Rahnamoun, Ali, Risheh, Ali, Schott-Verdugo, Stephan, Shajan, Akhil, Swails, Jason, Wang, Junmei, Wei, Haixin, Wu, Xiongwu, Wu, Yongxian, Zhang, Shi, Zhao, Shiji, Zhu, Qiang, Cheatham, Thomas E, Roe, Daniel R, Roitberg, Adrian, Simmerling, Carlos, York, Darrin M, Nagan, Maria C, and Merz, Kenneth M
- Subjects
Medicinal and Biomolecular Chemistry ,Chemical Sciences ,Theoretical and Computational Chemistry ,Computation Theory and Mathematics ,Medicinal & Biomolecular Chemistry ,Medicinal and biomolecular chemistry ,Theoretical and computational chemistry - Abstract
AmberTools is a free and open-source collection of programs used to set up, run, and analyze molecular simulations. The newer features contained within AmberTools23 are briefly described in this Application note.
- Published
- 2023