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AmberTools
[Image: see text] 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.
| Autores principales: | , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10598796/ https://www.ncbi.nlm.nih.gov/pubmed/37805934 http://dx.doi.org/10.1021/acs.jcim.3c01153 |
| _version_ | 1785125633854013440 |
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| author | 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. Merz, Kenneth M. |
| author_facet | 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. Merz, Kenneth M. |
| author_sort | Case, David A. |
| collection | PubMed |
| description | [Image: see text] 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. |
| format | Online Article Text |
| id | pubmed-10598796 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2023 |
| publisher | American Chemical Society |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-105987962023-10-26 AmberTools 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. Merz, Kenneth M. J Chem Inf Model [Image: see text] 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. American Chemical Society 2023-10-08 /pmc/articles/PMC10598796/ /pubmed/37805934 http://dx.doi.org/10.1021/acs.jcim.3c01153 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/). |
| spellingShingle | 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. Merz, Kenneth M. AmberTools |
| title | AmberTools |
| title_full | AmberTools |
| title_fullStr | AmberTools |
| title_full_unstemmed | AmberTools |
| title_short | AmberTools |
| title_sort | ambertools |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10598796/ https://www.ncbi.nlm.nih.gov/pubmed/37805934 http://dx.doi.org/10.1021/acs.jcim.3c01153 |
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