Biomolecules

Authors and titles for recent submissions, skipping first 5

[ total of 11 entries: 1-5 | 6-10 | 11 ]
[ showing 5 entries per page: fewer | more | all ]

[6] arXiv:2405.16861 [pdf, other]: Title: NCIDiff: Non-covalent Interaction-generative Diffusion Model for Improving Reliability of 3D Molecule Generation Inside Protein Pocket

Authors: Joongwon Lee, Wonho Zhung, Woo Youn Kim

Subjects: Biomolecules (q-bio.BM); Machine Learning (cs.LG); Biological Physics (physics.bio-ph)
[7] arXiv:2405.16123 (cross-list from cs.AI) [pdf, other]: Title: Retro-prob: Retrosynthetic Planning Based on a Probabilistic Model

Authors: Chengyang Tian, Yangpeng Zhang, Yang Liu

Subjects: Artificial Intelligence (cs.AI); Biomolecules (q-bio.BM)

[8] arXiv:2405.15489 [pdf, other]: Title: Out of Many, One: Designing and Scaffolding Proteins at the Scale of the Structural Universe with Genie 2

Authors: Yeqing Lin, Minji Lee, Zhao Zhang, Mohammed AlQuraishi

Subjects: Biomolecules (q-bio.BM); Machine Learning (cs.LG)
[9] arXiv:2405.15158 [pdf, other]: Title: ProtFAD: Introducing function-aware domains as implicit modality towards protein function perception

Authors: Mingqing Wang, Zhiwei Nie, Yonghong He, Zhixiang Ren

Comments: 16 pages, 6 figures, 5 tables

Subjects: Biomolecules (q-bio.BM); Machine Learning (cs.LG)
[10] arXiv:2405.14925 [pdf, other]: Title: PILOT: Equivariant diffusion for pocket conditioned de novo ligand generation with multi-objective guidance via importance sampling

Authors: Julian Cremer, Tuan Le, Frank Noé, Djork-Arné Clevert, Kristof T. Schütt

Subjects: Biomolecules (q-bio.BM); Artificial Intelligence (cs.AI); Computational Engineering, Finance, and Science (cs.CE); Machine Learning (cs.LG)

[ total of 11 entries: 1-5 | 6-10 | 11 ]
[ showing 5 entries per page: fewer | more | all ]