AmberTools
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.
Gespeichert in:
| Veröffentlicht in: | Journal of chemical information and modeling 2023-10, Vol.63 (20), p.6183-6191 |
|---|---|
| Hauptverfasser: | , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | 6191 |
|---|---|
| container_issue | 20 |
| container_start_page | 6183 |
| container_title | Journal of chemical information and modeling |
| container_volume | 63 |
| creator | 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. |
| description | 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. |
| doi_str_mv | 10.1021/acs.jcim.3c01153 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_pubme</sourceid><recordid>TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_10598796</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2874833530</sourcerecordid><originalsourceid>FETCH-LOGICAL-a434t-c170e89dfcd4f17249c055bb4c1356b1db0fd41b06478764cb407a0f8103c3ad3</originalsourceid><addsrcrecordid>eNp1kEtLAzEUhYMo9qF7V65dOPVm8pqspBRfUHBTwV1IMhmdMjOpSUfw35vaB7pwdS_cc849fAhdYJhgyPGNtnGytHU7IRYwZuQIDTGjMpMcXo_3O5N8gEYxLgEIkTw_RQMiCmCS0CEaTVvjwsL7Jp6hk0o30Z3v5hi93N8tZo_Z_PnhaTadZ5oSus4sFuAKWVa2pBUWOZUWGDOGWkwYN7g0UJUUG-BUFIJTaygIDVWBgViiSzJGt9vcVW9aV1rXrYNu1CrUrQ5fyuta_b109bt6858Kp86FkDwlXO0Sgv_oXVyrto7WNY3unO-jygtBC0IYgSSFrdQGH2Nw1eEPBrVhqBJDtWGodgyT5fJ3v4NhDy0JrreCH6vvQ5dw_Z_3DbaBfDg</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2874833530</pqid></control><display><type>article</type><title>AmberTools</title><source>American Chemical Society Journals</source><creator>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.</creator><creatorcontrib>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.</creatorcontrib><description>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.</description><identifier>ISSN: 1549-9596</identifier><identifier>ISSN: 1549-960X</identifier><identifier>EISSN: 1549-960X</identifier><identifier>DOI: 10.1021/acs.jcim.3c01153</identifier><identifier>PMID: 37805934</identifier><language>eng</language><publisher>United States: American Chemical Society</publisher><subject>Application Note</subject><ispartof>Journal of chemical information and modeling, 2023-10, Vol.63 (20), p.6183-6191</ispartof><rights>2023 The Authors. Published by American Chemical Society</rights><rights>2023 The Authors. Published by American Chemical Society 2023 The Authors</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-a434t-c170e89dfcd4f17249c055bb4c1356b1db0fd41b06478764cb407a0f8103c3ad3</citedby><cites>FETCH-LOGICAL-a434t-c170e89dfcd4f17249c055bb4c1356b1db0fd41b06478764cb407a0f8103c3ad3</cites><orcidid>0000-0002-7252-4730 ; 0000-0002-9971-4710 ; 0000-0003-2314-2346 ; 0000-0003-3963-8784 ; 0000-0003-1497-2444 ; 0000-0002-0653-9168 ; 0000-0001-9139-5893 ; 0000-0002-4514-0897 ; 0000-0002-0814-1364 ; 0000-0001-6737-6019 ; 0000-0002-4930-6612 ; 0000-0002-9193-7055 ; 0000-0003-2678-6825 ; 0000-0002-2572-5935 ; 0000-0002-2906-5858 ; 0000-0002-3594-8112 ; 0000-0002-0954-4560 ; 0000-0003-0298-3904 ; 0000-0001-8613-1447 ; 0000-0002-9607-8229 ; 0000-0002-8048-6906 ; 0000-0003-2110-2279 ; 0000-0002-5612-0728 ; 0000-0001-6629-3430 ; 0000-0002-4739-5447 ; 0000-0001-6435-4543</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01153$$EPDF$$P50$$Gacs$$H</linktopdf><linktohtml>$$Uhttps://pubs.acs.org/doi/10.1021/acs.jcim.3c01153$$EHTML$$P50$$Gacs$$H</linktohtml><link.rule.ids>230,314,776,780,881,2752,27053,27901,27902,56713,56763</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/37805934$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Case, David A.</creatorcontrib><creatorcontrib>Aktulga, Hasan Metin</creatorcontrib><creatorcontrib>Belfon, Kellon</creatorcontrib><creatorcontrib>Cerutti, David S.</creatorcontrib><creatorcontrib>Cisneros, G. Andrés</creatorcontrib><creatorcontrib>Cruzeiro, Vinícius Wilian D.</creatorcontrib><creatorcontrib>Forouzesh, Negin</creatorcontrib><creatorcontrib>Giese, Timothy J.</creatorcontrib><creatorcontrib>Götz, Andreas W.</creatorcontrib><creatorcontrib>Gohlke, Holger</creatorcontrib><creatorcontrib>Izadi, Saeed</creatorcontrib><creatorcontrib>Kasavajhala, Koushik</creatorcontrib><creatorcontrib>Kaymak, Mehmet C.</creatorcontrib><creatorcontrib>King, Edward</creatorcontrib><creatorcontrib>Kurtzman, Tom</creatorcontrib><creatorcontrib>Lee, Tai-Sung</creatorcontrib><creatorcontrib>Li, Pengfei</creatorcontrib><creatorcontrib>Liu, Jian</creatorcontrib><creatorcontrib>Luchko, Tyler</creatorcontrib><creatorcontrib>Luo, Ray</creatorcontrib><creatorcontrib>Manathunga, Madushanka</creatorcontrib><creatorcontrib>Machado, Matias R.</creatorcontrib><creatorcontrib>Nguyen, Hai Minh</creatorcontrib><creatorcontrib>O’Hearn, Kurt A.</creatorcontrib><creatorcontrib>Onufriev, Alexey V.</creatorcontrib><creatorcontrib>Pan, Feng</creatorcontrib><creatorcontrib>Pantano, Sergio</creatorcontrib><creatorcontrib>Qi, Ruxi</creatorcontrib><creatorcontrib>Rahnamoun, Ali</creatorcontrib><creatorcontrib>Risheh, Ali</creatorcontrib><creatorcontrib>Schott-Verdugo, Stephan</creatorcontrib><creatorcontrib>Shajan, Akhil</creatorcontrib><creatorcontrib>Swails, Jason</creatorcontrib><creatorcontrib>Wang, Junmei</creatorcontrib><creatorcontrib>Wei, Haixin</creatorcontrib><creatorcontrib>Wu, Xiongwu</creatorcontrib><creatorcontrib>Wu, Yongxian</creatorcontrib><creatorcontrib>Zhang, Shi</creatorcontrib><creatorcontrib>Zhao, Shiji</creatorcontrib><creatorcontrib>Zhu, Qiang</creatorcontrib><creatorcontrib>Cheatham, Thomas E.</creatorcontrib><creatorcontrib>Roe, Daniel R.</creatorcontrib><creatorcontrib>Roitberg, Adrian</creatorcontrib><creatorcontrib>Simmerling, Carlos</creatorcontrib><creatorcontrib>York, Darrin M.</creatorcontrib><creatorcontrib>Nagan, Maria C.</creatorcontrib><creatorcontrib>Merz, Kenneth M.</creatorcontrib><title>AmberTools</title><title>Journal of chemical information and modeling</title><addtitle>J. Chem. Inf. Model</addtitle><description>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.</description><subject>Application Note</subject><issn>1549-9596</issn><issn>1549-960X</issn><issn>1549-960X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNp1kEtLAzEUhYMo9qF7V65dOPVm8pqspBRfUHBTwV1IMhmdMjOpSUfw35vaB7pwdS_cc849fAhdYJhgyPGNtnGytHU7IRYwZuQIDTGjMpMcXo_3O5N8gEYxLgEIkTw_RQMiCmCS0CEaTVvjwsL7Jp6hk0o30Z3v5hi93N8tZo_Z_PnhaTadZ5oSus4sFuAKWVa2pBUWOZUWGDOGWkwYN7g0UJUUG-BUFIJTaygIDVWBgViiSzJGt9vcVW9aV1rXrYNu1CrUrQ5fyuta_b109bt6858Kp86FkDwlXO0Sgv_oXVyrto7WNY3unO-jygtBC0IYgSSFrdQGH2Nw1eEPBrVhqBJDtWGodgyT5fJ3v4NhDy0JrreCH6vvQ5dw_Z_3DbaBfDg</recordid><startdate>20231023</startdate><enddate>20231023</enddate><creator>Case, David A.</creator><creator>Aktulga, Hasan Metin</creator><creator>Belfon, Kellon</creator><creator>Cerutti, David S.</creator><creator>Cisneros, G. Andrés</creator><creator>Cruzeiro, Vinícius Wilian D.</creator><creator>Forouzesh, Negin</creator><creator>Giese, Timothy J.</creator><creator>Götz, Andreas W.</creator><creator>Gohlke, Holger</creator><creator>Izadi, Saeed</creator><creator>Kasavajhala, Koushik</creator><creator>Kaymak, Mehmet C.</creator><creator>King, Edward</creator><creator>Kurtzman, Tom</creator><creator>Lee, Tai-Sung</creator><creator>Li, Pengfei</creator><creator>Liu, Jian</creator><creator>Luchko, Tyler</creator><creator>Luo, Ray</creator><creator>Manathunga, Madushanka</creator><creator>Machado, Matias R.</creator><creator>Nguyen, Hai Minh</creator><creator>O’Hearn, Kurt A.</creator><creator>Onufriev, Alexey V.</creator><creator>Pan, Feng</creator><creator>Pantano, Sergio</creator><creator>Qi, Ruxi</creator><creator>Rahnamoun, Ali</creator><creator>Risheh, Ali</creator><creator>Schott-Verdugo, Stephan</creator><creator>Shajan, Akhil</creator><creator>Swails, Jason</creator><creator>Wang, Junmei</creator><creator>Wei, Haixin</creator><creator>Wu, Xiongwu</creator><creator>Wu, Yongxian</creator><creator>Zhang, Shi</creator><creator>Zhao, Shiji</creator><creator>Zhu, Qiang</creator><creator>Cheatham, Thomas E.</creator><creator>Roe, Daniel R.</creator><creator>Roitberg, Adrian</creator><creator>Simmerling, Carlos</creator><creator>York, Darrin M.</creator><creator>Nagan, Maria C.</creator><creator>Merz, Kenneth M.</creator><general>American Chemical Society</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><scope>5PM</scope><orcidid>https://orcid.org/0000-0002-7252-4730</orcidid><orcidid>https://orcid.org/0000-0002-9971-4710</orcidid><orcidid>https://orcid.org/0000-0003-2314-2346</orcidid><orcidid>https://orcid.org/0000-0003-3963-8784</orcidid><orcidid>https://orcid.org/0000-0003-1497-2444</orcidid><orcidid>https://orcid.org/0000-0002-0653-9168</orcidid><orcidid>https://orcid.org/0000-0001-9139-5893</orcidid><orcidid>https://orcid.org/0000-0002-4514-0897</orcidid><orcidid>https://orcid.org/0000-0002-0814-1364</orcidid><orcidid>https://orcid.org/0000-0001-6737-6019</orcidid><orcidid>https://orcid.org/0000-0002-4930-6612</orcidid><orcidid>https://orcid.org/0000-0002-9193-7055</orcidid><orcidid>https://orcid.org/0000-0003-2678-6825</orcidid><orcidid>https://orcid.org/0000-0002-2572-5935</orcidid><orcidid>https://orcid.org/0000-0002-2906-5858</orcidid><orcidid>https://orcid.org/0000-0002-3594-8112</orcidid><orcidid>https://orcid.org/0000-0002-0954-4560</orcidid><orcidid>https://orcid.org/0000-0003-0298-3904</orcidid><orcidid>https://orcid.org/0000-0001-8613-1447</orcidid><orcidid>https://orcid.org/0000-0002-9607-8229</orcidid><orcidid>https://orcid.org/0000-0002-8048-6906</orcidid><orcidid>https://orcid.org/0000-0003-2110-2279</orcidid><orcidid>https://orcid.org/0000-0002-5612-0728</orcidid><orcidid>https://orcid.org/0000-0001-6629-3430</orcidid><orcidid>https://orcid.org/0000-0002-4739-5447</orcidid><orcidid>https://orcid.org/0000-0001-6435-4543</orcidid></search><sort><creationdate>20231023</creationdate><title>AmberTools</title><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></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a434t-c170e89dfcd4f17249c055bb4c1356b1db0fd41b06478764cb407a0f8103c3ad3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Application Note</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Case, David A.</creatorcontrib><creatorcontrib>Aktulga, Hasan Metin</creatorcontrib><creatorcontrib>Belfon, Kellon</creatorcontrib><creatorcontrib>Cerutti, David S.</creatorcontrib><creatorcontrib>Cisneros, G. Andrés</creatorcontrib><creatorcontrib>Cruzeiro, Vinícius Wilian D.</creatorcontrib><creatorcontrib>Forouzesh, Negin</creatorcontrib><creatorcontrib>Giese, Timothy J.</creatorcontrib><creatorcontrib>Götz, Andreas W.</creatorcontrib><creatorcontrib>Gohlke, Holger</creatorcontrib><creatorcontrib>Izadi, Saeed</creatorcontrib><creatorcontrib>Kasavajhala, Koushik</creatorcontrib><creatorcontrib>Kaymak, Mehmet C.</creatorcontrib><creatorcontrib>King, Edward</creatorcontrib><creatorcontrib>Kurtzman, Tom</creatorcontrib><creatorcontrib>Lee, Tai-Sung</creatorcontrib><creatorcontrib>Li, Pengfei</creatorcontrib><creatorcontrib>Liu, Jian</creatorcontrib><creatorcontrib>Luchko, Tyler</creatorcontrib><creatorcontrib>Luo, Ray</creatorcontrib><creatorcontrib>Manathunga, Madushanka</creatorcontrib><creatorcontrib>Machado, Matias R.</creatorcontrib><creatorcontrib>Nguyen, Hai Minh</creatorcontrib><creatorcontrib>O’Hearn, Kurt A.</creatorcontrib><creatorcontrib>Onufriev, Alexey V.</creatorcontrib><creatorcontrib>Pan, Feng</creatorcontrib><creatorcontrib>Pantano, Sergio</creatorcontrib><creatorcontrib>Qi, Ruxi</creatorcontrib><creatorcontrib>Rahnamoun, Ali</creatorcontrib><creatorcontrib>Risheh, Ali</creatorcontrib><creatorcontrib>Schott-Verdugo, Stephan</creatorcontrib><creatorcontrib>Shajan, Akhil</creatorcontrib><creatorcontrib>Swails, Jason</creatorcontrib><creatorcontrib>Wang, Junmei</creatorcontrib><creatorcontrib>Wei, Haixin</creatorcontrib><creatorcontrib>Wu, Xiongwu</creatorcontrib><creatorcontrib>Wu, Yongxian</creatorcontrib><creatorcontrib>Zhang, Shi</creatorcontrib><creatorcontrib>Zhao, Shiji</creatorcontrib><creatorcontrib>Zhu, Qiang</creatorcontrib><creatorcontrib>Cheatham, Thomas E.</creatorcontrib><creatorcontrib>Roe, Daniel R.</creatorcontrib><creatorcontrib>Roitberg, Adrian</creatorcontrib><creatorcontrib>Simmerling, Carlos</creatorcontrib><creatorcontrib>York, Darrin M.</creatorcontrib><creatorcontrib>Nagan, Maria C.</creatorcontrib><creatorcontrib>Merz, Kenneth M.</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><collection>PubMed Central (Full Participant titles)</collection><jtitle>Journal of chemical information and modeling</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Case, David A.</au><au>Aktulga, Hasan Metin</au><au>Belfon, Kellon</au><au>Cerutti, David S.</au><au>Cisneros, G. Andrés</au><au>Cruzeiro, Vinícius Wilian D.</au><au>Forouzesh, Negin</au><au>Giese, Timothy J.</au><au>Götz, Andreas W.</au><au>Gohlke, Holger</au><au>Izadi, Saeed</au><au>Kasavajhala, Koushik</au><au>Kaymak, Mehmet C.</au><au>King, Edward</au><au>Kurtzman, Tom</au><au>Lee, Tai-Sung</au><au>Li, Pengfei</au><au>Liu, Jian</au><au>Luchko, Tyler</au><au>Luo, Ray</au><au>Manathunga, Madushanka</au><au>Machado, Matias R.</au><au>Nguyen, Hai Minh</au><au>O’Hearn, Kurt A.</au><au>Onufriev, Alexey V.</au><au>Pan, Feng</au><au>Pantano, Sergio</au><au>Qi, Ruxi</au><au>Rahnamoun, Ali</au><au>Risheh, Ali</au><au>Schott-Verdugo, Stephan</au><au>Shajan, Akhil</au><au>Swails, Jason</au><au>Wang, Junmei</au><au>Wei, Haixin</au><au>Wu, Xiongwu</au><au>Wu, Yongxian</au><au>Zhang, Shi</au><au>Zhao, Shiji</au><au>Zhu, Qiang</au><au>Cheatham, Thomas E.</au><au>Roe, Daniel R.</au><au>Roitberg, Adrian</au><au>Simmerling, Carlos</au><au>York, Darrin M.</au><au>Nagan, Maria C.</au><au>Merz, Kenneth M.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>AmberTools</atitle><jtitle>Journal of chemical information and modeling</jtitle><addtitle>J. Chem. Inf. Model</addtitle><date>2023-10-23</date><risdate>2023</risdate><volume>63</volume><issue>20</issue><spage>6183</spage><epage>6191</epage><pages>6183-6191</pages><issn>1549-9596</issn><issn>1549-960X</issn><eissn>1549-960X</eissn><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.</abstract><cop>United States</cop><pub>American Chemical Society</pub><pmid>37805934</pmid><doi>10.1021/acs.jcim.3c01153</doi><tpages>9</tpages><orcidid>https://orcid.org/0000-0002-7252-4730</orcidid><orcidid>https://orcid.org/0000-0002-9971-4710</orcidid><orcidid>https://orcid.org/0000-0003-2314-2346</orcidid><orcidid>https://orcid.org/0000-0003-3963-8784</orcidid><orcidid>https://orcid.org/0000-0003-1497-2444</orcidid><orcidid>https://orcid.org/0000-0002-0653-9168</orcidid><orcidid>https://orcid.org/0000-0001-9139-5893</orcidid><orcidid>https://orcid.org/0000-0002-4514-0897</orcidid><orcidid>https://orcid.org/0000-0002-0814-1364</orcidid><orcidid>https://orcid.org/0000-0001-6737-6019</orcidid><orcidid>https://orcid.org/0000-0002-4930-6612</orcidid><orcidid>https://orcid.org/0000-0002-9193-7055</orcidid><orcidid>https://orcid.org/0000-0003-2678-6825</orcidid><orcidid>https://orcid.org/0000-0002-2572-5935</orcidid><orcidid>https://orcid.org/0000-0002-2906-5858</orcidid><orcidid>https://orcid.org/0000-0002-3594-8112</orcidid><orcidid>https://orcid.org/0000-0002-0954-4560</orcidid><orcidid>https://orcid.org/0000-0003-0298-3904</orcidid><orcidid>https://orcid.org/0000-0001-8613-1447</orcidid><orcidid>https://orcid.org/0000-0002-9607-8229</orcidid><orcidid>https://orcid.org/0000-0002-8048-6906</orcidid><orcidid>https://orcid.org/0000-0003-2110-2279</orcidid><orcidid>https://orcid.org/0000-0002-5612-0728</orcidid><orcidid>https://orcid.org/0000-0001-6629-3430</orcidid><orcidid>https://orcid.org/0000-0002-4739-5447</orcidid><orcidid>https://orcid.org/0000-0001-6435-4543</orcidid><oa>free_for_read</oa></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 1549-9596 |
| ispartof | Journal of chemical information and modeling, 2023-10, Vol.63 (20), p.6183-6191 |
| issn | 1549-9596 1549-960X 1549-960X |
| language | eng |
| recordid | cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_10598796 |
| source | American Chemical Society Journals |
| subjects | Application Note |
| title | AmberTools |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-02-07T18%3A29%3A44IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_pubme&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=AmberTools&rft.jtitle=Journal%20of%20chemical%20information%20and%20modeling&rft.au=Case,%20David%20A.&rft.date=2023-10-23&rft.volume=63&rft.issue=20&rft.spage=6183&rft.epage=6191&rft.pages=6183-6191&rft.issn=1549-9596&rft.eissn=1549-960X&rft_id=info:doi/10.1021/acs.jcim.3c01153&rft_dat=%3Cproquest_pubme%3E2874833530%3C/proquest_pubme%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2874833530&rft_id=info:pmid/37805934&rfr_iscdi=true |