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Drug Design

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Showing 226–250 of 440 papers

TitleStatusHype
Structure-aware generation of drug-like molecules—0
Structure-Based Drug Design via 3D Molecular Generative Pre-training and Sampling—0
Structure-based drug design with geometric deep learning—0
Surveying the side-chain network approach to protein structure and dynamics: The SARS-CoV-2 spike protein as an illustrative case—0
SynerGPT: In-Context Learning for Personalized Drug Synergy Prediction and Drug Design—0
Synthesis-driven design of 3D molecules for structure-based drug discovery using geometric transformers—0
SynthFormer: Equivariant Pharmacophore-based Generation of Synthesizable Molecules for Ligand-Based Drug Design—0
Systems-Structure-Based Drug Design—0
Targets of drugs are generally, and targets of drugs having side effects are specifically good spreaders of human interactome perturbations—0
CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models—0
Template-Guided 3D Molecular Pose Generation via Flow Matching and Differentiable Optimization—0
GlycoNMR: Dataset and benchmarks for NMR chemical shift prediction of carbohydrates with graph neural networks—0
tFold-TR: Combining Deep Learning Enhanced Hybrid Potential Energy for Template-Based Modeling Structure Refinement—0
The known unknowns of the Hsp90 chaperone—0
The recent advances in the mathematical modelling of human pluripotent stem cells—0
The Structural Biology and Critical Evaluation of Bacterial Proteases as Targets in New Drug Design—0
Token-Mol 1.0: Tokenized drug design with large language model—0
Towards Efficient Molecular Property Optimization with Graph Energy Based Models—0
Towards Interpretable Sparse Graph Representation Learning with Laplacian Pooling—0
Hybrid quantum-classical machine learning for generative chemistry and drug design—0
TransDiffSBDD: Causality-Aware Multi-Modal Structure-Based Drug Design—0
Transfer Learning for Bayesian Optimization: A Survey—0
Transformative Machine Learning—0
Two for the Price of One: Integrating Large Language Models to Learn Biophysical Interactions—0
Understanding of Genetic Code Degeneracy and New Way of Classifying of Protein Family: A Mathematical Approach—0
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