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Updated: May 11, 2026

A Simple, Robust, and High Throughput Single Molecule Flow Stretching Assay Implementation for Studying Transport of Molecules Along DNA
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探索离散流量匹配用于3D De Novo分子生成

Ian Dunn1, David Ryan Koes1

  • 1Dept. of Computational & Systems Biology, University of Pittsburgh, Pittsburgh, PA 15260.

ArXiv
|December 9, 2024
PubMed
概括

这项研究对3D分子设计的离散流量匹配进行了基准测试,引入了FlowMol-CTMC. 这种新型号在产生具有较少参数的新型分子方面实现了最先进的性能.

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相关概念视频

Newman Projections02:06

Newman Projections

Different notations are used to represent the three-dimensional structure of molecules on two-dimensional surfaces. One of the most commonly used representations is the dash-wedge formula. The dashed wedges, solid wedges, and the plane lines indicate the groups situated behind the plane, coming out of the plane, and in the plane, respectively.
The organic molecules rotate across the single bonds leading to numerous temporary three-dimensional structures of varying energy known as conformers.