CN109637592B - 分子力场参数生成的计算任务管理分析系统及其运行方法 - Google Patents
分子力场参数生成的计算任务管理分析系统及其运行方法 Download PDFInfo
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US11609807B2 (en) | 2018-12-21 | 2023-03-21 | Shenzhen Jingtai Technology Co., Ltd. | Computing task management and analysis system for molecular force field parameter building and operation method thereof |
CN111180020B (zh) * | 2019-12-20 | 2023-09-01 | 深圳晶泰科技有限公司 | 一种药物研发过程中的数据管理系统及其使用方法 |
CN111863140B (zh) * | 2020-06-15 | 2022-04-15 | 深圳晶泰科技有限公司 | 一种测试和拟合力场二面角参数的方法 |
CN111863141B (zh) * | 2020-07-08 | 2022-06-10 | 深圳晶泰科技有限公司 | 分子力场多目标拟合算法库系统及工作流程方法 |
CN112447267A (zh) * | 2020-11-18 | 2021-03-05 | 深圳晶泰科技有限公司 | 分子动力学力场参数拟合工作流控制系统及其控制方法 |
WO2022104596A1 (zh) * | 2020-11-18 | 2022-05-27 | 深圳晶泰科技有限公司 | 分子动力学力场参数拟合工作流控制系统及其控制方法 |
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CN101131707A (zh) * | 2006-08-25 | 2008-02-27 | 屹昂计算化学软件(上海)有限公司 | 分子力学力场参数的自动化生成方法 |
CN107368700A (zh) * | 2017-07-21 | 2017-11-21 | 上海桑格信息技术有限公司 | 基于计算云平台的微生物多样性交互分析系统及其方法 |
CN107391963A (zh) * | 2017-07-21 | 2017-11-24 | 上海桑格信息技术有限公司 | 基于计算云平台的真核无参转录组交互分析系统及其方法 |
CN108647886A (zh) * | 2018-05-10 | 2018-10-12 | 深圳晶泰科技有限公司 | 科学计算流程管理系统 |
CN108664729A (zh) * | 2018-05-10 | 2018-10-16 | 深圳晶泰科技有限公司 | 一种gromacs云计算流程控制方法 |
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US6785665B2 (en) * | 2002-04-16 | 2004-08-31 | Huai Sun | Method and expert system of molecular mechanics force fields for computer simulation of molecular systems |
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CN101131707A (zh) * | 2006-08-25 | 2008-02-27 | 屹昂计算化学软件(上海)有限公司 | 分子力学力场参数的自动化生成方法 |
CN107368700A (zh) * | 2017-07-21 | 2017-11-21 | 上海桑格信息技术有限公司 | 基于计算云平台的微生物多样性交互分析系统及其方法 |
CN107391963A (zh) * | 2017-07-21 | 2017-11-24 | 上海桑格信息技术有限公司 | 基于计算云平台的真核无参转录组交互分析系统及其方法 |
CN108647886A (zh) * | 2018-05-10 | 2018-10-12 | 深圳晶泰科技有限公司 | 科学计算流程管理系统 |
CN108664729A (zh) * | 2018-05-10 | 2018-10-16 | 深圳晶泰科技有限公司 | 一种gromacs云计算流程控制方法 |
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