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Drug Design

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Showing 251–275 of 440 papers

TitleStatusHype
FlexSBDD: Structure-Based Drug Design with Flexible Protein Modeling—0
Force spectroscopy in studying infection—0
Fragment and Geometry Aware Tokenization of Molecules for Structure-Based Drug Design Using Language Models—0
Frequent Itemset-driven Search for Finding Minimum Node Separators in Complex Networks—0
FRnet-DTI: Deep Convolutional Neural Networks with Evolutionary and Structural Features for Drug-Target Interaction—0
From Byte to Bench to Bedside: Molecular Dynamics Simulations and Drug Discovery—0
GENEOnet: A new machine learning paradigm based on Group Equivariant Non-Expansive Operators. An application to protein pocket detection—0
Genesis: Towards the Automation of Systems Biology Research—0
GenShin:geometry-enhanced structural graph embodies binding pose can better predicting compound-protein interaction affinity—0
Geometric Constraints in Probabilistic Manifolds: A Bridge from Molecular Dynamics to Structured Diffusion Processes—0
Geometric-informed GFlowNets for Structure-Based Drug Design—0
GFlowNet Pretraining with Inexpensive Rewards—0
Graph-augmented Convolutional Networks on Drug-Drug Interactions Prediction—0
Graph-convolution neural network-based flexible docking utilizing coarse-grained distance matrix—0
Graph Memory Networks for Molecular Activity Prediction—0
Happy People -- Image Synthesis as Black-Box Optimization Problem in the Discrete Latent Space of Deep Generative Models—0
Hashing for Protein Structure Similarity Search—0
HCAF-DTA: drug-target binding affinity prediction with cross-attention fused hypergraph neural networks—0
Highly Scalable Tensor Factorization for Prediction of Drug-Protein Interaction Type—0
Hit and Lead Discovery with Explorative RL and Fragment-based Molecule Generation—0
How to Detect and Defeat Molecular Mirage: A Metric-Driven Benchmark for Hallucination in LLM-based Molecular Comprehension—0
Hybrid quantum cycle generative adversarial network for small molecule generation—0
HydraScreen: A Generalizable Structure-Based Deep Learning Approach to Drug Discovery—0
Ideal gas behavior of rotamerically defined conformers in native globular proteins—0
ImmunoLingo: Linguistics-based formalization of the antibody language—0
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