Pages that link to "Q57976070"
Jump to navigation
Jump to search
The following pages link to ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics (Q57976070):
Displaying 30 items.
- A fast topological analysis algorithm for large-scale similarity evaluations of ligands and binding pockets (Q27902362) (← links)
- USR-VS: a web server for large-scale prospective virtual screening using ultrafast shape recognition techniques (Q28275104) (← links)
- Ultrafast shape recognition: method and applications (Q28307816) (← links)
- Identification of novel drugs to target dormant micrometastases (Q28394296) (← links)
- Electrostatic similarities between protein and small molecule ligands facilitate the design of protein-protein interaction inhibitors (Q28534329) (← links)
- GPU-accelerated Chemical Similarity Assessment for Large Scale Databases (Q28821466) (← links)
- Comparison of ultra-fast 2D and 3D ligand and target descriptors for side effect prediction and network analysis in polypharmacology. (Q30486230) (← links)
- USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints (Q34468310) (← links)
- Shaping the interaction landscape of bioactive molecules. (Q34992054) (← links)
- Graph theoretical representation of atomic asymmetry and molecular chirality of benzenoids in two-dimensional space (Q35208113) (← links)
- Hierarchical virtual screening approaches in small molecule drug discovery (Q35214824) (← links)
- Prospective evaluation of shape similarity based pose prediction method in D3R Grand Challenge 2015. (Q36092809) (← links)
- MOST: most-similar ligand based approach to target prediction. (Q36305094) (← links)
- How Reliable Are Ligand-Centric Methods for Target Fishing? (Q36795770) (← links)
- Informatics, machine learning and computational medicinal chemistry. (Q37859728) (← links)
- Bioactive Molecules: Perfectly Shaped for Their Target? (Q39550903) (← links)
- A rotation-translation invariant molecular descriptor of partial charges and its use in ligand-based virtual screening (Q39865935) (← links)
- A Bayesian Target Predictor Method based on Molecular Pairing Energies estimation. (Q42318149) (← links)
- SwissTargetPrediction: a web server for target prediction of bioactive small molecules (Q42724602) (← links)
- Representability of algebraic topology for biomolecules in machine learning based scoring and virtual screening (Q47172167) (← links)
- Analysis of HIV Protease Binding Pockets Based on 3D Shape and Electrostatic Potential Descriptors (Q51609848) (← links)
- Reverse Screening Methods to Search for the Protein Targets of Chemopreventive Compounds. (Q55093753) (← links)
- Advances in the Development of Shape Similarity Methods and Their Application in Drug Discovery (Q56700832) (← links)
- Exploration of Piperidinols as Potential Antitubercular Agents (Q57976064) (← links)
- Shape-based similarity searching in chemical databases (Q57976067) (← links)
- Improving the accuracy of ultrafast ligand-based screening: incorporating lipophilicity into ElectroShape as an extra dimension (Q57976069) (← links)
- Applying Machine Learning to Ultrafast Shape Recognition in Ligand-Based Virtual Screening (Q90092943) (← links)
- Application of the SwissDrugDesign Online Resources in Virtual Screening (Q90194262) (← links)
- SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules (Q92148983) (← links)
- Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening (Q92221080) (← links)