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Effects of Alkyl Spacer Length in Carbazole‐Based Self‐Assembled Monolayer Materials on Molecular Conformation and Organic Solar Cell Performance.

• Authors : Chen, Qiaonan¹ (AUTHOR); Sun, Kangbo² (AUTHOR); Franco, Leandro R.³ (AUTHOR)

• Source: Advanced Science. 1/27/2025, Vol. 12 Issue 4, p1-12. 12p.

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Octaethyl vs Tetrabenzo Functionalized Ru Porphyrins on Ag(111) : Molecular Conformation, Self-Assembly and Electronic Structure

• Authors : Meier, Dennis; Knecht, Peter; Vezzoni Vicente, Pablo

Subjects: Naturvetenskap; Kemi; Materialkemi

• Source: Journal of Physical Chemistry C. 129(1):858-869

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Molecular dynamics for optimizing interfacial properties of carbon fiber-reinforced polycarbonate: molecular conformation.

• Authors : Zhang, Chenyang¹ (AUTHOR); Dai, Hanke¹ (AUTHOR); Lu, Yonggen¹ (AUTHOR)

• Source: Composite Interfaces. Sep2024, Vol. 31 Issue 9, p1067-1081. 15p.

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EquiBoost: An Equivariant Boosting Approach to Molecular Conformation Generation

• Authors : Yang, Yixuan; Fang, Xingyu; Cheng, Zhaowen

Subjects: Computer Science - Machine Learning; Physics - Chemical Physics; Quantitative Biology - Biomolecules

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EC-Conf: A ultra-fast diffusion model for molecular conformation generation with equivariant consistency.

• Authors : Fan, Zhiguang^1,2 (AUTHOR); Yang, Yuedong¹ (AUTHOR); Xu, Mingyuan² (AUTHOR)

• Source: Journal of Cheminformatics. 9/3/2024, Vol. 16 Issue 1, p1-15. 15p.

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EquiFlow: Equivariant Conditional Flow Matching with Optimal Transport for 3D Molecular Conformation Prediction

• Authors : Tian, Qingwen; Xu, Yuxin; Yang, Yixuan

Subjects: Computer Science - Machine Learning; Physics - Chemical Physics; Quantitative Biology - Biomolecules

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REBIND: Enhancing ground-state molecular conformation via force-based graph rewiring

• Authors : Kim, Taewon; Seo, Hyunjin; Ahn, Sungsoo

Subjects: Physics - Chemical Physics; Computer Science - Artificial Intelligence; Computer Science - Machine Learning

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Gram matrix: an efficient representation of molecular conformation and learning objective for molecular pretraining.

• Authors : Xiang W; Lingang Laboratory, Shanghai 200031, China.; Zhong F

Subjects: Molecular Conformation*; Models, Molecular ; Drug Design

• Source: Briefings in bioinformatics [Brief Bioinform] 2024 May 23; Vol. 25 (4).Publisher: Oxford University Press Country of Publication: England NLM ID: 100912837 Publication Model: Print Cited Medium: Internet ISSN:

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Efficient molecular conformation generation with quantum-inspired algorithm

• Authors : Li, Yunting; Cui, Xiaopeng; Xiong, Zhaoping

Subjects: Quantum Physics; Physics - Chemical Physics

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The binding of RbgA to a critical 50S assembly intermediate facilitates YphC function in bacterial ribosomal assembly.

• Authors : Arpin, Dominic^1,2 (AUTHOR); Palacios, Armando^1,2 (AUTHOR); Basu, Kaustuv^1,2 (AUTHOR)

Subjects: *MOLECULAR conformation; *BINDING sites; *BACILLUS subtilis

• Source: Nucleic Acids Research. 1/27/2025, Vol. 53 Issue 2, p1-15. 15p.

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