Rethinking Specificity in SBDD: Leveraging Delta Score and Energy-Guided Diffusion

4 March 2024

Papers citing "Rethinking Specificity in SBDD: Leveraging Delta Score and Energy-Guided Diffusion"

6 / 6 papers shown

Title
UniGEM: A Unified Approach to Generation and Property Prediction for Molecules Shikun Feng Yuyan Ni Yan Lu Zhi-Ming Ma Wei-Ying Ma Yanyan Lan 34 4 0 14 Oct 2024
Generative Flows on Synthetic Pathway for Drug Design Seonghwan Seo Minsu Kim Tony Shen Martin Ester Jinkyoo Park Sungsoo Ahn Woo Youn Kim 37 3 0 06 Oct 2024
General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design Yue Jian Curtis Wu Danny Reidenbach Aditi S. Krishnapriyan 34 1 0 24 Jun 2024
From Theory to Therapy: Reframing SBDD Model Evaluation via Practical Metrics Bowen Gao Haichuan Tan Yanwen Huang Minsi Ren Xiao Huang Wei-Ying Ma Ya-Qin Zhang Yanyan Lan 29 1 0 13 Jun 2024
Equivariant Energy-Guided SDE for Inverse Molecular Design Fan Bao Min Zhao Zhongkai Hao Pei‐Yun Li Chongxuan Li Jun Zhu DiffM 170 62 0 30 Sep 2022
A 3D Generative Model for Structure-Based Drug Design Shitong Luo Jiaqi Guan Jianzhu Ma Jian-wei Peng DiffM 65 176 0 20 Mar 2022