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Drug Design

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Showing 151–175 of 440 papers

TitleStatusHype
SynFlowNet: Design of Diverse and Novel Molecules with Synthesis ConstraintsCode2
Optimized Drug Design using Multi-Objective Evolutionary Algorithms with SELFIES—0
Leveraging Active Subspaces to Capture Epistemic Model Uncertainty in Deep Generative Models for Molecular Design—0
Deep Lead Optimization: Leveraging Generative AI for Structural Modification—0
Mamba-360: Survey of State Space Models as Transformer Alternative for Long Sequence Modelling: Methods, Applications, and ChallengesCode2
ControlMol: Adding Substructure Control To Molecule Diffusion Models—0
Protein language models are performant in structure-free virtual screeningCode1
MolCRAFT: Structure-Based Drug Design in Continuous Parameter SpaceCode2
Multi-objective generative AI for designing novel brain-targeting small molecules—0
AUTODIFF: Autoregressive Diffusion Modeling for Structure-based Drug Design—0
AlphaFold2 for protein structure prediction: Best practices and critical analyses—0
DecompOpt: Controllable and Decomposed Diffusion Models for Structure-based Molecular Optimization—0
Stabilizing Policy Gradients for Stochastic Differential Equations via Consistency with Perturbation Process—0
PPFlow: Target-aware Peptide Design with Torsional Flow MatchingCode2
DeepBioisostere: Discovering Bioisosteres with Deep Learning for a Fine Control of Multiple Molecular Properties—0
Rethinking Specificity in SBDD: Leveraging Delta Score and Energy-Guided Diffusion—0
Exploring Gene Regulatory Interaction Networks and predicting therapeutic molecules for Hypopharyngeal Cancer and EGFR-mutated lung adenocarcinoma—0
DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug DesignCode2
Graph Diffusion Policy OptimizationCode1
Structure-Based Drug Design via 3D Molecular Generative Pre-training and Sampling—0
Re-Dock: Towards Flexible and Realistic Molecular Docking with Diffusion Bridge—0
A Survey of Generative AI for de novo Drug Design: New Frontiers in Molecule and Protein GenerationCode2
Learning big logical rules by joining small rulesCode0
Endowing Protein Language Models with Structural KnowledgeCode1
Navigating the Maize: Cyclic and conditional computational graphs for molecular simulation—0
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