SOTAVerified

Drug Design

Papers

Recently AddedMost HypedMost ActiveNeeds VerificationMost Verified

Showing 176–200 of 440 papers

TitleStatusHype
Quantum-Inspired Machine Learning for Molecular Docking—0
DeepRLI: A Multi-objective Framework for Universal Protein--Ligand Interaction PredictionCode0
Rigid Protein-Protein Docking via Equivariant Elliptic-Paraboloid Interface PredictionCode0
Binding-Adaptive Diffusion Models for Structure-Based Drug DesignCode1
Empirical Evidence for the Fragment level Understanding on Drug Molecular Structure of LLMsCode0
Deep Manifold Transformation for Protein Representation Learning—0
Hybrid quantum cycle generative adversarial network for small molecule generation—0
Cellular forgetting, desensitisation, stress and aging in signalling networks. When do cells refuse to learn more?—0
PlayMolecule Viewer: a toolkit for the visualization of molecules and other data—0
De novo Drug Design using Reinforcement Learning with Multiple GPT AgentsCode1
CrossBind: Collaborative Cross-Modal Identification of Protein Nucleic-Acid-Binding ResiduesCode0
Automating reward function configuration for drug design—0
NovoMol: Recurrent Neural Network for Orally Bioavailable Drug Design and Validation on PDGFRα ReceptorCode0
From Byte to Bench to Bedside: Molecular Dynamics Simulations and Drug Discovery—0
GlycoNMR: Dataset and benchmarks for NMR chemical shift prediction of carbohydrates with graph neural networks—0
DiffBindFR: An SE(3) Equivariant Network for Flexible Protein-Ligand DockingCode1
Docking-based generative approaches in the search for new drug candidates—0
Accelerating Inference in Molecular Diffusion Models with Latent Representations of Protein StructureCode1
Computational Explorations in Biomedicine: Unraveling Molecular Dynamics for Cancer, Drug Delivery, and Biomolecular Insights using LAMMPS Simulations—0
STRIDE: Structure-guided Generation for Inverse Design of Molecules—0
Delta Score: Improving the Binding Assessment of Structure-Based Drug Design Methods—0
Conformal Drug Property Prediction with Density Estimation under Covariate Shift—0
Docking Peptides into HIV/FIV Protease with Deep Learning and Focused Peptide Docking Methods—0
ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings AlignmentCode1
PointGAT: A quantum chemical property prediction model integrating graph attention and 3D geometry—0
Show:102550
← PrevPage 8 of 18Next →

No leaderboard results yet.