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Publications in Computer-Aided Design
OSCAR4: A Flexible Architecture for Chemical Text-Mining
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
A Fast Topological Analysis Algorithm for Large-Scale Similarity Evaluations of Ligands and Binding Pockets
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Molecular De-Novo Design Through Deep Reinforcement Learning
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Coarse-Grained and All-Atom MD Simulations With Gromacs Based on CELLmicrocosmos 2.2 Model Membranes
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
The Semantic Architecture of the World-Wide Molecular Matrix (WWMM)
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Virtual Screening Using Structure-Based Consensus Pharmacophore Models and Ensemble Docking Based on MD-generated Conformations
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Database Fingerprint (DFP): An Approach to Represent Molecular Databases
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Drug-Likeness Analysis of Traditional Chinese Medicines: 1. Property Distributions of Drug-Like Compounds, Non-Drug-Like Compounds and Natural Compounds From Traditional Chinese Medicines
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
FragVLib a Free Database Mining Software for Generating "Fragment-Based Virtual Library" Using Pocket Similarity Search of Ligand-Receptor Complexes
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
MetFrag Relaunched: Incorporating Strategies Beyond in Silico Fragmentation
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
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