Lv12
44 积分 2021-05-18 加入
Small-Molecule Conformer Generators: Evaluation of Traditional Methods and AI Models on High-Quality Data Sets
20小时前
已完结
Conformational Sampling in Computational Studies of Natural Products: Why Is It Important?
20小时前
已完结
Computational Spectroscopy of Aqueous Solutions: The Underlying Role of Conformational Sampling
20小时前
已关闭
Assessing small molecule conformational sampling methods in molecular docking
20小时前
已完结
Benchmarking AI-powered docking methods from the perspective of virtual screening
16天前
已完结
HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein–Ligand Binding Affinity Prediction
16天前
已完结
PLANET: A Multi-objective Graph Neural Network Model for Protein–Ligand Binding Affinity Prediction
16天前
已完结
scPerturb: harmonized single-cell perturbation data
20天前
已完结
Benchmarking AI-powered docking methods from the perspective of virtual screening
21天前
已完结
Efficient and accurate large library ligand docking with KarmaDock
21天前
已完结
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