# US 2026/0100249 A1 · Method, electronic device and storage medium

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- Number: US 2026/0100249 A1
- Document ID: US20260100249A1
- Status: Published application
- Kind: A1
- Application number: 19/417,665
- Filed: 2025-12-12
- Published: 2026-04-09
- Earliest claimed: 2025-12-12
- Applicants: Bytedance Technology Ltd.
- Inventors: Nima Shoghi Ghalehshahi; Yuxuan Liu; Yuning Shen; Robert Gregory Brekelmans; Quanquan Gu
- Web page: https://patentgrep.com/patent/US20260100249A1

## CPC

- G16B 30/00: ICT specially adapted for sequence analysis involving nucleotides or amino acids
- G16B 15/20: Protein or domain folding
- G16B 40/20: Supervised data analysis
- G16B: BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY

## Abstract

Embodiments of the present disclosure provides a method, an electronic device and a storage medium. In the method, a plurality of first residue features for a plurality of residues in the first conformation and a plurality of second residue features for a plurality of residues in a second conformation are determined based on a protein sequence and a first conformation, the protein sequence comprising a plurality of residues; the plurality of second residue features are updated based on temporal information and spatial information of the plurality of first residue features; and the second conformation is generated based on the updated plurality of second residue features.

## Claims

### Claim 1

A method, comprising:
determining, based on a protein sequence and a first conformation, a plurality of first residue features for a plurality of residues in the first conformation and a plurality of second residue features for a plurality of residues in a second conformation, the protein sequence comprising a plurality of residues;
updating, based on temporal information and spatial information of the plurality of first residue features, the plurality of second residue features; and
generating, based on the updated plurality of second residue features, the second conformation.

### Claim 2 (depends on 1)

The method of claim 1, wherein determining, based on the protein sequence and the first conformation, the plurality of first residue features for the plurality of residues in the first conformation and the plurality of second residue features for the plurality of residues in the second conformation comprises:
determining, based on the protein sequence, a plurality of base residue features, wherein the plurality of base residue features indicate properties and an order of the plurality of residues;
determining, based on the first conformation, the plurality of first residue features and a plurality of initial features for the second conformation; and
determining, based on the plurality of base residue features and the plurality of initial features, the plurality of second residue features and pairwise feature representing relationships among the plurality of residues in the second conformation.

### Claim 3 (depends on 2)

The method of claim 2, wherein a preset time interval exists between the first conformation and the second conformation, and updating, based on temporal information and spatial information of the plurality of first residue features, the plurality of second residue features comprises:
acquiring a noise frame for the second conformation;
adjusting the plurality of second residue features based on the preset time interval, the noise frame, and the pairwise feature;
adjusting the plurality of first residue features based on an order of the first conformation;
determining attention weights of each residue in the second conformation relative to each residue in the first conformation and to each residue in the second conformation based on the adjusted plurality of first residue features and the adjusted plurality of second residue features; and
updating the plurality of second residue features based on the attention weights and the adjusted plurality of second residue features.

### Claim 4 (depends on 3)

The method of claim 3, wherein generating the second conformation based on the updated plurality of second residue features comprises:
generating the second conformation by denoising the noise frame based on the updated plurality of second residue features.

### Claim 5 (depends on 4)

The method of claim 4, further comprising:
updating the pairwise feature based on the updated plurality of second residue features.

### Claim 6 (depends on 5)

The method of claim 5, wherein generating the second conformation by denoising the noise frame based on the updated plurality of second residue features comprises:
determining a denoising vector based on the updated plurality of second residue features, wherein the denoising vector indicates a denoising direction and a denoising speed;
iteratively performing the following operations until a preset stopping condition is met:
determining a denoised noise frame by denoising the noise frame according to the denoising vector; and
updating the denoising vector based on the time interval, the denoised noise frame, the updated pairwise feature, and the updated plurality of second residue features; and
determining the denoised noise frame as the second conformation.

### Claim 7 (depends on 3)

The method of claim 3, wherein the pairwise feature indicate distances between carbon beta atoms of the plurality of residues in the second conformation.

### Claim 8 (depends on 1)

The method of claim 1, further comprising:
determining, based on the protein sequence and a historical conformation, a plurality of third residue features, wherein the historical conformation comprises the first conformation and the second conformation;
updating the plurality of third residue features by determining, based on a preset time interval, attention weights of each residue in a third conformation relative to each residue in the first conformation, to each residue in the second conformation, and to each residue in the third conformation; and
generating the third conformation based on the updated plurality of third residue features.

### Claim 9 (depends on 1)

The method of claim 1, wherein the method is performed by a model having a conditioning channel, and a preset time interval exists between the first conformation and the second conformation and is input into the conditioning channel.

### Claim 10

An electronic device comprising:
at least one processor; and
at least one memory storing instructions that, when executed by the at least one processor, cause the electronic device at least to:
determine, based on a protein sequence and a first conformation, a plurality of first residue features for a plurality of residues in the first conformation and a plurality of second residue features for a plurality of residues in a second conformation, the protein sequence comprising a plurality of residues;
update, based on temporal information and spatial information of the plurality of first residue features, the plurality of second residue features; and
generate, based on the updated plurality of second residue features, the second conformation.

### Claim 11 (depends on 10)

The electronic device of claim 10, wherein the instructions to determine, based on the protein sequence and the first conformation, the plurality of first residue features for the plurality of residues in the first conformation and the plurality of second residue features for the plurality of residues in the second conformation, further cause the electronic device at least to:
determine, based on the protein sequence, a plurality of base residue features, wherein the plurality of base residue features indicate properties and an order of the plurality of residues;
determine, based on the first conformation, the plurality of first residue features and a plurality of initial features for the second conformation; and
determine, based on the plurality of base residue features and the plurality of initial features, the plurality of second residue features and pairwise feature representing relationships among the plurality of residues in the second conformation.

### Claim 12 (depends on 11)

The electronic device of claim 11, wherein a preset time interval exists between the first conformation and the second conformation, and the instructions to update, based on temporal information and spatial information of the plurality of first residue features, the plurality of second residue features, further cause the electronic device at least to:
acquire a noise frame for the second conformation;
adjust the plurality of second residue features based on the preset time interval, the noise frame, and the pairwise feature;
adjust the plurality of first residue features based on an order of the first conformation;
determine attention weights of each residue in the second conformation relative to each residue in the first conformation and to each residue in the second conformation based on the adjusted plurality of first residue features and the adjusted plurality of second residue features; and
update the plurality of second residue features based on the attention weights and the adjusted plurality of second residue features.

### Claim 13 (depends on 12)

The electronic device of claim 12, wherein the instructions to generate the second conformation based on the updated plurality of second residue features, further cause the electronic device at least to:
generate the second conformation by denoising the noise frame based on the updated plurality of second residue features.

### Claim 14 (depends on 13)

The electronic device of claim 13, wherein the instructions further cause the electronic device at least to:
update the pairwise feature based on the updated plurality of second residue features.

### Claim 15 (depends on 14)

The electronic device of claim 14, wherein the instructions to generate the second conformation by denoising the noise frame based on the updated plurality of second residue features, further cause the electronic device at least to:
determine a denoising vector based on the updated plurality of second residue features, wherein the denoising vector indicates a denoising direction and a denoising speed;
iteratively performing the following operations until a preset stopping condition is met:
determine a denoised noise frame by denoising the noise frame according to the denoising vector; and
update the denoising vector based on the time interval, the denoised noise frame, the updated pairwise feature, and the updated plurality of second residue features; and
determine the denoised noise frame as the second conformation.

### Claim 16 (depends on 12)

The electronic device of claim 12, wherein the pairwise feature indicate distances between carbon beta atoms of the plurality of residues in the second conformation.

### Claim 17 (depends on 10)

The electronic device of claim 10, wherein the instructions further cause the electronic device at least to:
determine, based on the protein sequence and a historical conformation, a plurality of third residue features, wherein the historical conformation comprises the first conformation and the second conformation;
update the plurality of third residue features by determining, based on a preset time interval, attention weights of each residue in a third conformation relative to each residue in the first conformation, to each residue in the second conformation, and to each residue in the third conformation; and
generate the third conformation based on the updated plurality of third residue features.

### Claim 18 (depends on 10)

The electronic device of claim 10, wherein the method is performed by a model having a conditioning channel, and a preset time interval exists between the first conformation and the second conformation and is input into the conditioning channel.

### Claim 19

A non-transitory computer-readable storage medium comprising program instructions for causing an apparatus to:
determine, based on a protein sequence and a first conformation, a plurality of first residue features for a plurality of residues in the first conformation and a plurality of second residue features for a plurality of residues in a second conformation, the protein sequence comprising a plurality of residues;
update, based on temporal information and spatial information of the plurality of first residue features, the plurality of second residue features; and
generate, based on the updated plurality of second residue features, the second conformation.

### Claim 20 (depends on 19)

The non-transitory computer-readable storage medium of claim 19, wherein the program instructions to determine, based on the protein sequence and the first conformation, the plurality of first residue features for the plurality of residues in the first conformation and the plurality of second residue features for the plurality of residues in the second conformation, further cause the apparatus at least to:
determine, based on the protein sequence, a plurality of base residue features, wherein the plurality of base residue features indicate properties and an order of the plurality of residues;
determine, based on the first conformation, the plurality of first residue features and a plurality of initial features for the second conformation; and
determine, based on the plurality of base residue features and the plurality of initial features, the plurality of second residue features and pairwise feature representing relationships among the plurality of residues in the second conformation.
