惯性聚合 高效追踪和阅读你感兴趣的博客、新闻、科技资讯
阅读原文 在惯性聚合中打开

推荐订阅源

Microsoft Azure Blog
Microsoft Azure Blog
WordPress大学
WordPress大学
Google DeepMind News
Google DeepMind News
美团技术团队
大猫的无限游戏
大猫的无限游戏
H
Help Net Security
小众软件
小众软件
aimingoo的专栏
aimingoo的专栏
博客园 - 聂微东
让小产品的独立变现更简单 - ezindie.com
让小产品的独立变现更简单 - ezindie.com
M
MIT News - Artificial intelligence
酷 壳 – CoolShell
酷 壳 – CoolShell
博客园 - Franky
钛媒体:引领未来商业与生活新知
钛媒体:引领未来商业与生活新知
Microsoft Security Blog
Microsoft Security Blog
F
Fortinet All Blogs
A
About on SuperTechFans
Recent Announcements
Recent Announcements
D
Docker
Vercel News
Vercel News
Engineering at Meta
Engineering at Meta
腾讯CDC
Martin Fowler
Martin Fowler
阮一峰的网络日志
阮一峰的网络日志

cs.RO updates on arXiv.org

FineCog-Nav: Integrating Fine-grained Cognitive Modules for Zero-shot Multimodal UAV Navigation DENALI: A Dataset Enabling Non-Line-of-Sight Spatial Reasoning with Low-Cost LiDARs SENSE: Stereo OpEN Vocabulary SEmantic Segmentation Continual Hand-Eye Calibration for Open-world Robotic Manipulation PLAF: Pixel-wise Language-Aligned Feature Extraction for Efficient 3D Scene Understanding GaussianFlow SLAM: Monocular Gaussian Splatting SLAM Guided by GaussianFlow GIST: Multimodal Knowledge Extraction and Spatial Grounding via Intelligent Semantic Topology $π_{0.7}$: a Steerable Generalist Robotic Foundation Model with Emergent Capabilities R3D: Revisiting 3D Policy Learning Vision-Based Safe Human-Robot Collaboration with Uncertainty Guarantees Benchmarking Classical Coverage Path Planning Heuristics on Irregular Hexagonal Grids for Maritime Coverage Scenarios NEAT-NC: NEAT guided Navigation Cells for Robot Path Planning HRDexDB: A Large-Scale Dataset of Dexterous Human and Robotic Hand Grasps ADAPT: Benchmarking Commonsense Planning under Unspecified Affordance Constraints An Intelligent Robotic and Bio-Digestor Framework for Smart Waste Management Efficient closed-form approaches for pose estimation using Sylvester forms World-Value-Action Model: Implicit Planning for Vision-Language-Action Systems A Nonasymptotic Theory of Gain-Dependent Error Dynamics in Behavior Cloning CooperDrive: Enhancing Driving Decisions Through Cooperative Perception SpaceMind: A Modular and Self-Evolving Embodied Vision-Language Agent Framework for Autonomous On-orbit Servicing HiVLA: A Visual-Grounded-Centric Hierarchical Embodied Manipulation System UMI-3D: Extending Universal Manipulation Interface from Vision-Limited to 3D Spatial Perception Towards Multi-Object-Tracking with Radar on a Fast Moving Vehicle: On the Potential of Processing Radar in the Frequency Domain Beyond Conservative Automated Driving in Multi-Agent Scenarios via Coupled Model Predictive Control and Deep Reinforcement Learning Failure Identification in Imitation Learning Via Statistical and Semantic Filtering A Dynamic-Growing Fuzzy-Neuro Controller, Application to a 3PSP Parallel Robot Vision-Language-Action Jump-Starting for Reinforcement Learning Robotic Agents A Mechanistic Analysis of Sim-and-Real Co-Training in Generative Robot Policies ESCAPE: Episodic Spatial Memory and Adaptive Execution Policy for Long-Horizon Mobile Manipulation Evolvable Embodied Agent for Robotic Manipulation via Long Short-Term Reflection and Optimization
DynamicDTA: Drug-Target Binding Affinity Prediction Using...
Dan Luo, Jinyu Zhou, Le Xu, Sisi Yuan, Xuan Lin · 2025-05-13 · via cs.RO updates on arXiv.org

Predicting drug-target binding affinity (DTA) is essential for identifying potential therapeutic candidates in drug discovery. However, most existing models rely heavily on static protein structures, often overlooking the dynamic nature of proteins, which is crucial for capturing conformational flexibility that will be beneficial for protein binding interactions. We introduce DynamicDTA, an innovative deep learning framework that incorporates static and dynamic protein features to enhance DTA prediction. The proposed DynamicDTA takes three types of inputs, including drug sequence, protein sequence, and dynamic descriptors. A molecular graph representation of the drug sequence is generated and subsequently processed through graph convolutional network, while the protein sequence is encoded using dilated convolutions. Dynamic descriptors, such as root mean square fluctuation, are processed through a multi-layer perceptron. These embedding features are fused with static protein features using cross-attention, and a tensor fusion network integrates all three modalities for DTA prediction. Extensive experiments on three datasets demonstrate that DynamicDTA achieves by at least 3.4% improvement in RMSE score with comparison to seven state-of-the-art baseline methods. Additionally, predicting novel drugs for Human Immunodeficiency Virus Type 1 and visualizing the docking complexes further demonstrates the reliability and biological relevance of DynamicDTA.