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Drug Design

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Showing 126–150 of 440 papers

TitleStatusHype
Docking Peptides into HIV/FIV Protease with Deep Learning and Focused Peptide Docking Methods—0
Evolutionary training-free guidance in diffusion model for 3D multi-objective molecular generation—0
Direct Coupling Analysis of Epistasis in Allosteric Materials—0
Diffusion Models in De Novo Drug Design—0
GenShin:geometry-enhanced structural graph embodies binding pose can better predicting compound-protein interaction affinity—0
Diffusing on Two Levels and Optimizing for Multiple Properties: A Novel Approach to Generating Molecules with Desirable Properties—0
BioTD: an online database of biotoxins—0
AlphaFold Accelerates Artificial Intelligence Powered Drug Discovery: Efficient Discovery of a Novel Cyclin-dependent Kinase 20 (CDK20) Small Molecule Inhibitor—0
Development of a Fragment-Based Machine Learning Algorithm for Designing Hybrid Drugs Optimized for Permeating Gram-Negative Bacteria—0
Binding Affinity Prediction: From Conventional to Machine Learning-Based Approaches—0
De Novo Molecular Generation with Stacked Adversarial Model—0
De Novo Drug Design with Joint Transformers—0
Geometric Constraints in Probabilistic Manifolds: A Bridge from Molecular Dynamics to Structured Diffusion Processes—0
Delta Score: Improving the Binding Assessment of Structure-Based Drug Design Methods—0
DeepScaffold: a comprehensive tool for scaffold-based de novo drug discovery using deep learning—0
Beyond Chemical QA: Evaluating LLM's Chemical Reasoning with Modular Chemical Operations—0
Best Arm Identification in Generalized Linear Bandits—0
A Ligand-and-structure Dual-driven Deep Learning Method for the Discovery of Highly Potent GnRH1R Antagonist to treat Uterine Diseases—0
Deep Manifold Transformation for Protein Representation Learning—0
Deep learning is competing random forest in computational docking—0
Deep Lead Optimization: Leveraging Generative AI for Structural Modification—0
DeepIso: A Deep Learning Model for Peptide Feature Detection—0
Balancing Exploration and Exploitation: Disentangled β-CVAE in De Novo Drug Design—0
AlgoRxplorers | Precision in Mutation: Enhancing Drug Design with Advanced Protein Stability Prediction Tools—0
3D Molecular Generation via Virtual Dynamics—0
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