| 查看: 1140 | 回复: 2 | |||||||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||||||
czyzsu专家顾问 (文坛精英)
|
[交流]
【分享】MOE2010发布了 已有1人参与
|
||||||
|
http://www.chemcomp.com/press_releases/2010-11-30.htm Chemical Computing Group Announces the New Version of MOE - Molecular Operating Environment MONTREAL, Canada November 30, 2010 Chemical Computing Group (CCG) is pleased to announce the release of MOE 2010.10. MOE is a fully integrated multi-platform (Windows/Linux/Unix/Mac) drug discovery software package. MOE 2010.10 includes the following new and enhanced capabilities: Streamlined Interactive Modeling Interface Integration of NAMD Engine in MOE Kinase Database and Explorer Structure-Based Medicinal Chemistry Transformations Enhanced Graphics Non-bonded Interaction Visualization The MOE interface has been redesigned with the objective of simplifying and streamlining the modeling process for computational as well as medicinal chemists. As Paul Labute, President and CEO of CCG, explained, "We put considerable effort into making the modeling process more efficient. Many of the new enhancements were the result of close collaboration with our clients who expressed interest in optimizing the modeling experience. In MOE 2010.10, multiple complexes can be handled simultaneously more effectively, with quick toggling on and off of active atom sets, surfaces and rendering styles. The new interface also provides fast access to harmonized application panels, enabling researchers to streamline their modeling and simulation efforts." Another highlight of the 2010.10 version is the integration of the NAMD engine into MOE's suite of dynamics tools. "Such integration offers MOE users the flexibility to farm out molecular dynamic simulations to NAMD and import trajectories back into MOE for subsequent analysis," observed Paul Labute. "NAMD is a high-performance parallelized MD engine that is extensively used and has been validated over the years. Being able to include NAMD easily into the workflow will greatly benefit the MOE user community, simplifying the setup of complex MD runs and reducing the effort involved in preparing parameter files." MOE 2010.10 also features a new kinase structural database and explorer/browser. "The new Kinase Search interface allows MOE users to extract potentially complex data sets quickly and efficiently by searching and visualizing ligand topologies and ligand:receptor structural domain information." Paul Labute added, "Researchers will be able to include proprietary structures to expand and update the knowledge base to enhance their understanding of complicated issues such as selectivity." For additional information about MOE 2010.10 please contact: info@chemcomp.com About Chemical Computing Group Chemical Computing Group (CCG) is a leading supplier of software solutions for Life Sciences. CCG has been in business since 1994, always providing state of the art applications in Drug Discovery to Pharmaceutical, Biotech and Academic researcher. CCG's products and services are used by biologists, medicinal chemists and computational chemists throughout the world. Chemical Computing Group has a proven track record in scientific innovation, consistently producing releases and upgrades for all their products. CCG has a very strong reputation for collaborative scientific support, maintaining support offices in both Europe and North America. CCG headquarter is in Montreal, Canada. For more information visit: www.chemcomp.com For additional information please contact: Raul Alvarez Senior Marketing Manager (514)393-1055 info@chemcomp.com. |
回复此楼» 收录本帖的淘帖专辑推荐
 分子模拟CADD软件资源大集合 | whs-hehe |
» 猜你喜欢
调剂310
已经有11人回复
-
300求调剂，材料科学英一数二
已经有9人回复
-
296求调剂
已经有3人回复
-
一志愿南昌大学324求调剂
已经有3人回复
-
299求调剂
已经有9人回复
-
22408 359分调剂
已经有6人回复
-
085600 材料与化工 329分求调剂
已经有12人回复
-
一志愿北京化工大学材料与化工（085600）296求调剂
已经有14人回复
-
085601材料工程找调剂
已经有11人回复
-
总分293求调剂
已经有9人回复
» 本主题相关价值贴推荐，对您同样有帮助:
- 分子动力学模拟时间的意义？
已经有4人回复
- 来帮帮我妈妈吧！
已经有16人回复
- 请问今年新世纪优秀人才是否真的取消了？
已经有16人回复
- 分子模拟中MSD的问题讨论
已经有25人回复
- 2013教育部创新团队入围名单公示
已经有4人回复
- 求助，纳豆菌发酵过程中出现的问题！
已经有7人回复
- 分子指纹软件求助
已经有8人回复
- 大家使用哪些免费软件建立模型呢？
已经有11人回复
- 国家食品药品监督管理局发布《2010年药品注册审批年度报告》
已经有13人回复
- 如何定义亲疏水性？
已经有3人回复
- 【求助】关于配体位阻与催化活性
已经有5人回复
- 【求助】催化剂这样表示是什么意思
已经有14人回复
- 关于2010年度“新世纪优秀人才支持计划”申报工作的通知
已经有4人回复
- 【求助】晶间断裂跟穿晶断裂有什么区别
已经有5人回复
- 文章online了可以算发表吗？
已经有15人回复
- 2010年度全国教育科学规划专项研究课题拟立项结果公告公示
已经有10人回复
- 【求助】关于氢键的数据表示
已经有7人回复
- 全国教育科学“十一五”规划2010年度拟立项课题结果公告公示
已经有16人回复
- 【讨论】各种分子对接软件的速度和精度比较
已经有15人回复
chemozhang
木虫 (正式写手)
- 模拟EPI: 1
- 应助: 3 (幼儿园)
- 金币: 3431.1
- 散金: 462
- 红花: 12
- 帖子: 615
- 在线: 356小时
- 虫号: 282954
- 注册: 2006-10-08
- 性别: GG
- 专业: 药物学
3楼2011-09-05 19:26:37
2楼2011-04-23 22:00:01
10