most citedDecompOpt: Controllable and Decomposed Diffusion Models for Structure-based Molecular Optimization

8 citations · 17 across the 7 of their papers we have counts for

collaborators

7 papers

cs.LG2025

Reinforcing General Reasoning without Verifiers

Xiangxin Zhou, Zichen Liu, Anya Sims +6

The recent paradigm shift towards training large language models (LLMs) using DeepSeek-R1-Zero-style reinforcement learning (RL) on verifiable rewards has led to impressive advance…

q-bio.BM2025

Integrating Protein Dynamics into Structure-Based Drug Design via Full-Atom Stochastic Flows

Xiangxin Zhou, Yi Xiao, Haowei Lin +7

The dynamic nature of proteins, influenced by ligand interactions, is essential for comprehending protein function and progressing drug discovery. Traditional structure-based drug…

cs.LG2024

Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design

Xiangxin Zhou, Jiaqi Guan, Yijia Zhang +3

Dual-target therapeutic strategies have become a compelling approach and attracted significant attention due to various benefits, such as their potential in overcoming drug resista…

q-bio.BM2024★ 1 cited

Bridging Text and Molecule: A Survey on Multimodal Frameworks for Molecule

Yi Xiao, Xiangxin Zhou, Qiang Liu +1

Artificial intelligence has demonstrated immense potential in scientific research. Within molecular science, it is revolutionizing the traditional computer-aided paradigm, ushering…

q-bio.BM2024★ 8 cited

DecompOpt: Controllable and Decomposed Diffusion Models for Structure-based Molecular Optimization

Xiangxin Zhou, Xiwei Cheng, Yuwei Yang +3

Recently, 3D generative models have shown promising performances in structure-based drug design by learning to generate ligands given target binding sites. However, only modeling t…

q-bio.BM2024★ 7 cited

Antigen-Specific Antibody Design via Direct Energy-based Preference Optimization

Xiangxin Zhou, Dongyu Xue, Ruizhe Chen +3

Antibody design, a crucial task with significant implications across various disciplines such as therapeutics and biology, presents considerable challenges due to its intricate nat…

cs.LG2024★ 1 cited

Stabilizing Policy Gradients for Stochastic Differential Equations via Consistency with Perturbation Process

Xiangxin Zhou, Liang Wang, Yichi Zhou

Considering generating samples with high rewards, we focus on optimizing deep neural networks parameterized stochastic differential equations (SDEs), the advanced generative models…