| 题名 | The AmberTools |
| 作者 | Case, David A.1; Aktulga, Hasan Metin2; Belfon, Kellon3; Cerutti, David S.4; Cisneros, G. Andres5; Cruzeiro, Vinicus Wilian D.6,7; Forouzesh, Negin8; Giese, Timothy J.9,10; Gotz, Andreas W.11; Gohlke, Holger12,13; Izadi, Saeed14; Kasavajhala, Koushik15; Kaymak, Mehmet C.2; King, Edward16,17,18,19,20; Kurtzman, Tom21,22; Lee, Tai-Sung9,10; Li, Pengfei23; Liu, Jian24; Luchko, Tyler25; Luo, Ray16,17,18,19,20; Manathunga, Madushanka26,27; Machado, Matias R.28; Nguyen, Hai Minh1; O'Hearn, Kurt A.2; Onufriev, Alexey V.29,30; Pan, Feng31; Pantano, Sergio28; Qi, Ruxi32  ; Rahnamoun, Ali2; Risheh, Ali8; Schott-Verdugo, Stephan13; Shajan, Akhil26,27; Swails, Jason33; Wang, Junmei34; Wei, Haixin16,17,18,19,20; Wu, Xiongwu35; Wu, Yongxian16,17,18,19,20; Zhang, Shi9,10; Zhao, Shiji16,17,18,19,20,36; Zhu, Qiang16,17,18,19,20; Cheatham, I. I. I. Thomas E.37; Roe, Daniel R.38; Roitberg, Adrian39; Simmerling, Carlos15; York, Darrin M.9,10; Nagan, Maria C.40 ; Merz, Jr Kenneth M.26,27
|
| 通讯作者 | Nagan, Maria C.; Merz, Jr Kenneth M. |
| 发表日期 | 2023-10-01
|
| DOI | |
| 发表期刊 | |
| ISSN | 1549-9596
|
| EISSN | 1549-960X
|
| 卷号 | 63页码:6183-6191 |
| 摘要 | 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. |
| 相关链接 | [来源记录] |
| 收录类别 | |
| 语种 | 英语
|
| 重要成果 | ESI热点
|
| 学校署名 | 其他
|
| 资助项目 | National Institutes of Health["2209718","2209717"]
; National Science Foundation["OAC1835144","OAC-2117247","CHE-2050541","CHE-2018427","CHE-2102668","CTMC-1665159","CHE-1955260","CHE-2216858"]
; Loyola University Chicago["CRC 1208","267205415"]
; Deutsche Forschungsgemeinschaft (DFG, German Research Foundation)["COF 03/11","NSFC-22225304"]
|
| WOS研究方向 | Pharmacology & Pharmacy
; Chemistry
; Computer Science
|
| WOS类目 | Chemistry, Medicinal
; Chemistry, Multidisciplinary
; Computer Science, Information Systems
; Computer Science, Interdisciplinary Applications
|
| WOS记录号 | WOS:001083258000001
|
| 出版者 | |
| EI入藏号 | 20234615048667
|
| 来源库 | Web of Science
|
| 引用统计 |
被引频次[WOS]：101
|
| 成果类型 | 期刊论文 |
| 条目标识符 | http://kc.sustech.edu.cn/handle/2SGJ60CL/582885 |
| 专题 | 南方科技大学 |
| 作者单位 | 1.Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA 2.Michigan State Univ, Dept Comp Sci & Engn, E Lansing, MI 48824 USA 3.FOG Pharmaceut Inc, Cambridge, MA 02140 USA 4.Psivant, 451 St,Suite 205, Boston, MA 02210 USA 5.Univ Texas Dallas, Dept Phys, Dept Chem & Biochem, Richardson, TX 75801 USA 6.Stanford Univ, Dept Chem, Stanford, CA 94305 USA 7.Stanford Univ, PULSE Inst, Stanford, CA 94305 USA 8.Calif State Univ Los Angeles, Dept Comp Sci, Los Angeles, CA 90032 USA 9.Rutgers State Univ, Inst Quantitat Biomed, Lab Biomol Simulat Res, Piscataway, NJ 08854 USA 10.Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA 11.Univ Calif San Diego, San Diego Supercomp Ctr, La Jolla, CA 92093 USA 12.Heinrich Heine Univ Dusseldorf, Inst Pharmaceut & Med Chem, D-40225 Dusseldorf, Germany 13.Forschungszentrum Julich, Inst Bio & Geosci IBG Bioinformat 4, D-52425 Julich, Germany 14.Genentech Inc, Pharmaceut Dev, San Francisco, CA 94080 USA 15.SUNY Stony Brook, Laufer Ctr Phys & Quantitat Biol, Dept Chem, Stony Brook, NY 11794 USA 16.Univ Calif Irvine, Grad Program Chem & Mat Phys, Dept Mol Biol, Irvine, CA 92697 USA 17.Univ Calif Irvine, Dept Biochem, Grad Program Chem & Mat Phys, Irvine, CA 92697 USA 18.Univ Calif Irvine, Dept Chem & Biomol Engn, Grad Program Chem & Mat Phys, Irvine, CA 92697 USA 19.Univ Calif Irvine, Dept Mat Sci & Engn, Grad Program Chem & Mat Phys, Irvine, CA 92697 USA 20.Univ Calif Irvine, Dept Biomed Engn, Grad Program Chem & Mat Phys, Irvine, CA 92697 USA 21.CUNY, PhD Programs Biochem & Chem, Grad Ctr, New York, NY 10016 USA 22.Lehman Coll, Dept Chem, Bronx, NY 10468 USA 23.Loyola Univ Chicago, Dept Chem & Biochem, Chicago, IL 60660 USA 24.Peking Univ, Inst Theoret & Computat Chem, Coll Chem & Mol Engn, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China 25.Calif State Univ Northridge, Dept Phys & Astron, Northridge, CA 91330 USA 26.Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA 27.Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA 28.Inst Pasteur Montevideo, Montevideo 11400, Uruguay 29.Virginia Tech, Dept Comp Sci, Blacksburg, VA 24061 USA 30.Virginia Tech, Dept Phys, Blacksburg, VA 24061 USA 31.Florida State Univ, Dept Stat, Tallahassee, FL 32304 USA 32.Southern Univ Sci & Technol, Cryo EM Ctr, Shenzhen 518055, Peoples R China 33.Entos, Los Angeles, CA 90027 USA 34.Univ Pittsburgh, Sch Pharm, Dept Pharmaceut Sci, Pittsburgh, PA 15261 USA 35.NHLBI, Lab Computat Biol, NIH, Bethesda, MD 20892 USA 36.Nurix Therapeut Inc, San Francisco, CA 94158 USA 37.Univ Utah, Dept Med Chem, Salt Lake City, UT 84112 USA 38.NHLBI, Lab Computat Biol, NIH, Bethesda, MD 20892 USA 39.Univ Florida, Dept Chem, Gainesville, FL 32611 USA 40.SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA |
| 推荐引用方式 GB/T 7714 |
Case, David A.,Aktulga, Hasan Metin,Belfon, Kellon,et al. The AmberTools[J]. JOURNAL OF CHEMICAL INFORMATION AND MODELING,2023,63:6183-6191.
|
| APA |
Case, David A..,Aktulga, Hasan Metin.,Belfon, Kellon.,Cerutti, David S..,Cisneros, G. Andres.,...&Merz, Jr Kenneth M..(2023).The AmberTools.JOURNAL OF CHEMICAL INFORMATION AND MODELING,63,6183-6191.
|
| MLA |
Case, David A.,et al."The AmberTools".JOURNAL OF CHEMICAL INFORMATION AND MODELING 63(2023):6183-6191.
|
| 条目包含的文件 | 条目无相关文件。 | |||||
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