Yupeng Huang

8PUBLICATIONS
20CO-AUTHORS
Biomolecular modelling and designMolecular imaging (incl. electron microscopy and neutron diffraction)Numerical solution of differential and integral equationsInorganic materials (incl. nanomaterials)Software testing, verification and validation
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Publications (8)

|Jul 02, 2025
In-silico 3D molecular editing through physics-informed and preference-aligned generative foundation models.

Xiaohan Lin, Yijie Xia, Yanheng Li

|Feb 12, 2025
Effective Nucleation Size for Ice Crystallization.

Maodong Li, Yupeng Huang, Yijie Xia

|Nov 08, 2024
DSDPFlex: Flexible-Receptor Docking with GPU Acceleration.

Chengwei Dong, Yu-Peng Huang, Xiaohan Lin

|Jan 10, 2024
PMC-IZ: A Simple Algorithm for the Electrostatics Calculation in Slab Geometric Molecular Dynamics Simulations.

Yu-Peng Huang, Yijie Xia, Lijiang Yang

|Dec 04, 2023
Nanoscale one-dimensional close packing of interfacial alkali ions driven by water-mediated attraction.

Ye Tian, Yizhi Song, Yijie Xia

|Jun 30, 2023
DSDP: A Blind Docking Strategy Accelerated by GPUs.

YuPeng Huang, Hong Zhang, Siyuan Jiang

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Frequent Collaborators

8 joint publications

Yi Qin Gao

3 joint publications

Hong Zhang

3 joint publications

Jun Zhang

3 joint publications

Yijie Xia