Team-SKI / Publications
Supporting Information of Publications
☆14Updated 5 years ago
Alternatives and similar repositories for Publications:
Users that are interested in Publications are comparing it to the libraries listed below
- ☆14Updated 3 years ago
- ☆12Updated 2 years ago
- A collection of small scripts and utilities that would otherwise float around in other repositories☆13Updated 2 years ago
- ☆26Updated last year
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆13Updated 3 years ago
- Integrative modeling of PROTAC-mediated ternary complex☆24Updated 2 years ago
- ☆12Updated 3 years ago
- ☆18Updated last year
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 2 years ago
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆26Updated 3 years ago
- Kinome-wide structural pocket similarity☆10Updated 2 years ago
- ☆25Updated 5 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆43Updated 2 years ago
- ☆18Updated last year
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆18Updated last year
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆23Updated last year
- ☆18Updated last week
- Virtual screening approach for fragments selection and merging to lead-like compounds☆12Updated 3 years ago
- Protein-Ligand Interaction Fingerprints☆19Updated 4 years ago
- WaterDock-2.0 implementation with Akshay Sridhar☆15Updated last year
- Optimization of binding affinities in chemical space for drug discovery☆36Updated last year
- Three-dimensional force fields fingerprints☆28Updated 3 years ago
- ☆17Updated 11 months ago
- RDKit code for the JCIM article☆16Updated 11 years ago
- Generative models of chemical data for PaccMann^RL☆14Updated last year
- MD pharmacophores and virtual screening☆33Updated last year
- ☆22Updated 2 months ago
- Tutorial to build AMBER compatable protein+lipid systems☆14Updated 7 years ago
- FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand …☆36Updated 3 years ago
- SIEVE-Score: interaction energy-based virtual screening method based on random forest.☆15Updated last year