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夜雨聆风 > > 办公文件 > 薛定谔软件 | 建模平台 + 配套服务升级 LNP 开发体系

薛定谔软件 | 建模平台 + 配套服务升级 LNP 开发体系

当前时间： 2026-07-24 00:19:18 分类：办公文件 评论(0)
薛定谔软件 | 建模平台 + 配套服务升级 LNP 开发体系

一、概述

脂质纳米颗粒（LNP）技术已成为多种治疗方法的基础。对LNP结构及其行为的详细理解将有助于实施和优化许多治疗方法。薛定谔提供了一个计算建模平台，使基于结构的LNP建模成为可能，以解决组合驱动LNP结构和行为变异中的挑战。

滤泡形成是LNP研究中活跃的一个领域，被认为会影响mRNA表达水平。薛定谔可以模拟从低pH（左）散布在LNP内的mRNA到高pH（右）的波粒定位的过程。浅蓝色：水;深蓝色：带正电的可电离脂质;绿色：中性可电离脂质;橙色：聚基化脂质;红色：mRNA。

二、主要能力

将LNP作为成分函数的表征

  • 内部和表面结构
    pH依赖性
    含水量
    mRNA-脂质相互作用

预测可电离脂质的表观pKa值2

  • LNP表现的关键属性
  • 结构型
  • 依赖于表述

模拟与被动LNP目标相关的特征

  • LNP曲面作为LNP组成函数的性质
  • 与内源性蛋白的关联，作为低密度天然蛋白组成的函数

阐明活跃的LNP目标

  • 表征关键配体-LNP行为，包括：生产过程中的配体附着;LNP表面系绳的有效性;以及PEG层之外的暴露靶向实体
  • 量化配体-靶点结合

模拟内体体逃逸以支持翻译效率的提升

  • 模拟逃逸过程
  • 识别mRNA释放趋势与LNP组成相关的变化
by JYZ
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关于薛定谔软件
美国薛定谔公司（Schrödinger, Inc.）成立于1990年，是全球领先的计算化学与分子模拟软件公司，总部位于美国纽约，并于2020年在纳斯达克上市。公司以量子力学奠基人薛定谔命名，核心理念是通过第一性原理物理、化学模型结合高性能计算与人工智能，加速药物与材料创新。其强大的软件平台集成量子化学、分子动力学、粗粒化模拟、自由能计算和机器学习等多尺度方法，广泛应用于药物发现、材料科学、半导体、能源及OLED等领域。薛定谔软件以高精度、亲用户、工业级验证和良好可视化著称，既能支持基础科研，也能直接指导实验与工程决策，是连接理论计算与实际应用的重要工具。

薛定谔软件提供免费试用、技术培训、设备推荐、硬件支持以及体贴、及时、周到的售后服务，欢迎扫码联系：

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  1. CONNECT:[ UseTime:0.000611s ] mysql:host=127.0.0.1;port=3306;dbname=wenku;charset=utf8mb4
  2. SHOW FULL COLUMNS FROM `fenlei` [ RunTime:0.000929s ]
  3. SELECT * FROM `fenlei` WHERE `fid` = 0 [ RunTime:0.000329s ]
  4. SELECT * FROM `fenlei` WHERE `fid` = 63 [ RunTime:0.000271s ]
  5. SHOW FULL COLUMNS FROM `set` [ RunTime:0.000436s ]
  6. SELECT * FROM `set` [ RunTime:0.000214s ]
  7. SHOW FULL COLUMNS FROM `article` [ RunTime:0.000525s ]
  8. SELECT * FROM `article` WHERE `id` = 873069 LIMIT 1 [ RunTime:0.003203s ]
  9. UPDATE `article` SET `lasttime` = 1784824688 WHERE `id` = 873069 [ RunTime:0.024525s ]
  10. SELECT * FROM `fenlei` WHERE `id` = 64 LIMIT 1 [ RunTime:0.000244s ]
  11. SELECT * FROM `article` WHERE `id` < 873069 ORDER BY `id` DESC LIMIT 1 [ RunTime:0.000508s ]
  12. SELECT * FROM `article` WHERE `id` > 873069 ORDER BY `id` ASC LIMIT 1 [ RunTime:0.000448s ]
  13. SELECT * FROM `article` WHERE `id` < 873069 ORDER BY `id` DESC LIMIT 10 [ RunTime:0.000893s ]
  14. SELECT * FROM `article` WHERE `id` < 873069 ORDER BY `id` DESC LIMIT 10,10 [ RunTime:0.033208s ]
  15. SELECT * FROM `article` WHERE `id` < 873069 ORDER BY `id` DESC LIMIT 20,10 [ RunTime:0.001204s ]
0.169437s