Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures

Shitong Luo, Yufeng Su, Xingang Peng, +3

EngineeringMachine LearningStructural BioinformaticsMolecular BiologyImmunological Computing +25

3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction

Jiaqi Guan, Wesley Wei Qian, Xingang Peng, +3

arXiv (Cornell University)

Geometric LearningEngineeringMachine LearningBinding AffinityComputational Chemistry +17

Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets

Xingang Peng, Shitong Luo, Jiaqi Guan, +3

arXiv (Cornell University)

New Drug CandidatesEngineeringDeep Generative ModelsMolecular BiologyComputational Chemistry +17

Prospective multicenter study on the incidence of surgical site infection after emergency abdominal surgery in China

Ze Li, Hui Li, Pin Lv, +4

Scientific Reports

Randomized clinical trial comparing octreotide and scopolamine butylbromide in symptom control of patients with inoperable bowel obstruction due to advanced ovarian cancer

Xingang Peng, Peige Wang, Shikuan Li, +2

World Journal of Surgical Oncology

Elucidation of protein–ligand interactions by multiple trajectory analysis methods

Nian Wu, Ruotian Zhang, Xingang Peng, +3

Physical Chemistry Chemical Physics

EngineeringProtein–ligand InteractionsBiochemistryInteractomicsMedicine +13

An injectable, self-healable, antibacterial, and pro-healing oxidized pullulan polysaccharide/carboxymethyl chitosan hydrogel for early protection of open abdominal wounds

Yeying Zhao, Ruojing Li, Yangyang Liu, +5

International Journal of Biological Macromolecules

Tissue EngineeringHydrogelsBiopolymer GelEngineeringSelf-healing Material +8

Identification of transfer RNA-derived fragments and their potential roles in aortic dissection

Xiuxiu Fu, Xingqiang He, Yanyan Yang, +9

Genomics

MechanobiologySystems BiologyDevelopmental BiologyEngineeringPotential Roles +9

MicroRNA‐302c‐3p inhibits endothelial cell pyroptosis via directly targeting NOD‐, LRR‐ and pyrin domain‐containing protein 3 in atherosclerosis

Baochen Bai, Yanyan Yang, Shengxiang Ji, +6

Journal of Cellular and Molecular Medicine

3DLinker: An E(3) Equivariant Variational Autoencoder for Molecular Linker Design

Yinan Huang, Xingang Peng, Jianzhu Ma, +1

arXiv (Cornell University)

Geometric LearningEngineeringMachine LearningMolecular BiologyComputational Chemistry +14