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Drug Design

Papers

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Showing 401–440 of 440 papers

TitleStatusHype
Structural insights into characterizing binding sites in EGFR kinase mutants—0
Overview of Current Type I/II Kinase Inhibitors—0
Transformative Machine Learning—0
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to MoleculesCode0
FRnet-DTI: Deep Convolutional Neural Networks with Evolutionary and Structural Features for Drug-Target Interaction—0
Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges—0
Fréchet ChemNet Distance: A metric for generative models for molecules in drug discoveryCode0
Meta Reinforcement Learning with Latent Variable Gaussian Processes—0
Sever: A Robust Meta-Algorithm for Stochastic OptimizationCode0
Visualizing Convolutional Neural Network Protein-Ligand ScoringCode0
Computational Analysis for the Rational Design of Anti-Amyloid Beta (ABeta) Antibodies—0
Multi-Objective De Novo Drug Design with Conditional Graph Generative ModelCode0
Graph Memory Networks for Molecular Activity Prediction—0
Using Deep Reinforcement Learning to Generate Rationales for Molecules—0
DeepIso: A Deep Learning Model for Peptide Feature Detection—0
Shape Complementarity Analysis for Objects of Arbitrary Shape—0
Deep Reinforcement Learning for De-Novo Drug DesignCode0
Representation Learning on Graphs: Methods and Applications—0
Meta-QSAR: a large-scale application of meta-learning to drug design and discovery—0
Optimization of Tree Ensembles—0
Rigidity strengthening is a vital mechanism for protein-ligand binding—0
Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural NetworksCode1
Challenges ahead Electron Microscopy for Structural Biology from the Image Processing point of view—0
Knowledge-based machine learning methods for macromolecular 3D structure prediction—0
Protein-Ligand Scoring with Convolutional Neural NetworksCode0
DeeperBind: Enhancing Prediction of Sequence Specificities of DNA Binding ProteinsCode0
Learning Protein Dynamics with Metastable Switching Systems—0
Deep learning is competing random forest in computational docking—0
Force spectroscopy in studying infection—0
Discriminative Embeddings of Latent Variable Models for Structured DataCode0
Learning to SMILE(S)—0
Spherical Distance Metrics Applied to Protein Structure Classification—0
Highly Scalable Tensor Factorization for Prediction of Drug-Protein Interaction Type—0
Understanding of Genetic Code Degeneracy and New Way of Classifying of Protein Family: A Mathematical Approach—0
Targets of drugs are generally, and targets of drugs having side effects are specifically good spreaders of human interactome perturbations—0
Ideal gas behavior of rotamerically defined conformers in native globular proteins—0
ComPPI, a cellular compartment-specific database for protein-protein interaction network analysis—0
Ant Colony Optimization for Inferring Key Gene Interactions—0
The Structural Biology and Critical Evaluation of Bacterial Proteases as Targets in New Drug Design—0
Understanding Protein Dynamics with L1-Regularized Reversible Hidden Markov Models—0
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