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Drug Design

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Showing 301–325 of 440 papers

TitleStatusHype
Combining GCN Structural Learning with LLM Chemical Knowledge for or Enhanced Virtual Screening—0
Composing Molecules with Multiple Property Constraints—0
ComPPI, a cellular compartment-specific database for protein-protein interaction network analysis—0
Computational Analysis for the Rational Design of Anti-Amyloid Beta (ABeta) Antibodies—0
Computational Explorations in Biomedicine: Unraveling Molecular Dynamics for Cancer, Drug Delivery, and Biomolecular Insights using LAMMPS Simulations—0
Computing Absolute Free Energy with Deep Generative Models—0
Conformal Drug Property Prediction with Density Estimation under Covariate Shift—0
Continuous Representation of Molecules Using Graph Variational Autoencoder—0
ControlMol: Adding Substructure Control To Molecule Diffusion Models—0
Covering Multiple Objectives with a Small Set of Solutions Using Bayesian Optimization—0
CTAGE: Curvature-Based Topology-Aware Graph Embedding for Learning Molecular Representations—0
Data-Efficient Protein 3D Geometric Pretraining via Refinement of Diffused Protein Structure Decoy—0
DCI: An Accurate Quality Assessment Criteria for Protein Complex Structure Models—0
Decoding Drug Discovery: Exploring A-to-Z In silico Methods for Beginners—0
DecompOpt: Controllable and Decomposed Diffusion Models for Structure-based Molecular Optimization—0
Decomposed Direct Preference Optimization for Structure-Based Drug Design—0
DeepBioisostere: Discovering Bioisosteres with Deep Learning for a Fine Control of Multiple Molecular Properties—0
Deep Denerative Models for Drug Design and Response—0
DeepIso: A Deep Learning Model for Peptide Feature Detection—0
Deep Lead Optimization: Leveraging Generative AI for Structural Modification—0
Deep learning is competing random forest in computational docking—0
Deep Manifold Transformation for Protein Representation Learning—0
DeepScaffold: a comprehensive tool for scaffold-based de novo drug discovery using deep learning—0
Delta Score: Improving the Binding Assessment of Structure-Based Drug Design Methods—0
De Novo Drug Design with Joint Transformers—0
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