SOTAVerified

Drug Design

Papers

Recently AddedMost HypedMost ActiveNeeds VerificationMost Verified

Showing 301–350 of 440 papers

TitleStatusHype
STRIDE: Structure-guided Generation for Inverse Design of Molecules—0
Structural insights into characterizing binding sites in EGFR kinase mutants—0
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
Antibody DomainBed: Out-of-Distribution Generalization in Therapeutic Protein Design—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
Understanding Protein Dynamics with L1-Regularized Reversible Hidden Markov Models—0
Unified Guidance for Geometry-Conditioned Molecular Generation—0
Synergistic Benefits of Joint Molecule Generation and Property Prediction—0
Unveiling the frontiers of deep learning: innovations shaping diverse domains—0
Using Deep Reinforcement Learning to Generate Rationales for Molecules—0
Using the structural kinome to systematize kinase drug discovery—0
Vertex-Edge Weighted Molecular Graphs: A study on topological indices and their relevance to physicochemical properties of drugs in use cancer treatment—0
Robust Graph Meta-learning for Weakly-supervised Few-shot Node Classification—0
Widely Used and Fast De Novo Drug Design by a Protein Sequence-Based Reinforcement Learning Model—0
xTrimoABFold: De novo Antibody Structure Prediction without MSA—0
Y-Mol: A Multiscale Biomedical Knowledge-Guided Large Language Model for Drug Development—0
Multi-objective generative AI for designing novel brain-targeting small molecules—0
Navigating the Maize: Cyclic and conditional computational graphs for molecular simulation—0
New Candidates for Furin Inhibition as Probable Treat for COVID-19: Docking Output—0
NLRP3 monomer Functional Dynamics: from the Effects of Allosteric Binding to Implications for Drug Design—0
Old Drugs for Newly Emerging Viral Disease, COVID-19: Bioinformatic Prospective—0
One-way Explainability Isn't The Message—0
Optimization of Tree Ensembles—0
Optimized Drug Design using Multi-Objective Evolutionary Algorithms with SELFIES—0
Optimizing Drug Design by Merging Generative AI With Active Learning Frameworks—0
Overview of Current Type I/II Kinase Inhibitors—0
ParaVS: A Simple, Fast, Efficient and Flexible Graph Neural Network Framework for Structure-Based Virtual Screening—0
PepINVENT: Generative peptide design beyond the natural amino acids—0
Show:102550
← PrevPage 7 of 9Next →

No leaderboard results yet.