公开(公告)号：US20250104817A1

公开(公告)日：2025-03-27

申请号：US18974497

申请日：2024-12-09

Applicant: BEIJING BAIDU NETCOM SCIENCE TECHNOLOGY CO., LTD.

Inventor： Lihang Liu ,  Xiaomin Fang ,  Xiaonan Zhang ,  Jingzhou He

IPC: G16C20/70 ,  G16C20/30

Abstract: A training method and apparatus for a full atomic structure prediction model. The method includes: obtaining structural information of a biomolecule and a first dynamic trajectory of the biomolecules; in which, the first dynamic trajectory includes position information of atoms in the biomolecule at different time points; adding noise to the first dynamic trajectory to obtain a second dynamic trajectory; encoding the structural information to obtain encoded features; decoding the encoded features and the second dynamic trajectory to obtain a target dynamic trajectory; and training an initial full atomic structure prediction model based on a difference between the target dynamic trajectory and the first dynamic trajectory, to obtain the full atomic structure prediction model.

公开(公告)号：US20250104803A1

公开(公告)日：2025-03-27

申请号：US18972078

申请日：2024-12-06

Applicant: BEIJING BAIDU NETCOM SCIENCE TECHNOLOGY CO., LTD.

Inventor： Kunrui Zhu ,  Lihang Liu ,  Xiaomin Fang ,  Xiaonan Zhang ,  Jingzhou He

IPC: G16B15/20 ,  G06F30/27 ,  G16B30/00 ,  G16B40/20

Abstract: A method for information processing, is performed by an electronic device, and the method includes: obtaining a residue sequence AT that does not carry amino acid information and a first protein backbone structure BT generated by pure noise; and performing iterative denoising on the residue sequence AT and the first protein backbone structure BT; for a tth denoising, obtaining coevolution information of a residue sequence AT+1−t, and obtaining, based on the coevolution information and a first protein backbone structure BT+1−t, a residue sequence AT−t and a first protein backbone structure BT−t after the tth denoising, until the denoising is completed and a target amino acid sequence and a second protein backbone structure are obtained, where t is a positive integer, and 1≤t≤T, and T is a number of denoising times.

公开(公告)号：US20250054572A1

公开(公告)日：2025-02-13

申请号：US18930048

申请日：2024-10-29

Applicant: BEIJING BAIDU NETCOM SCIENCE TECHNOLOGY CO., LTD.

Inventor： Jie Gao ,  Jing Hu ,  Xiaomin Fang ,  Xiaonan Zhang

IPC: G16B15/30

Abstract: A method for protein docking includes docking a first protein and a second protein according to at least two molecular docking methods to generate a complex conformation in each round of iteration; recognizing that an iteration end condition is not satisfied, continuing a next round of iteration until the iteration end condition is satisfied, and obtaining a final complex conformation.