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JOURNAL OF CHEMICAL INFORMATION AND MODELING
Rivista
Codice:
E189453
ISSN:
1549-9596
Dati Generali
Dati Generali
Pubblicazioni (8)
A 3D-QSAR-driven approach to binding mode and affinity prediction
Articolo
A Pipeline to Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins
Articolo
COSMOsar3D: Molecular Field Analysis based on local COSMO σ-profiles
Articolo
First-Principles Modeling of Protein/Surface Interactions. Polyglycine Secondary Structure Adsorption on the TiO2(101) Anatase Surface Adopting a Full Periodic Approach
Articolo
Metabotropic glutamate receptor-mediated currents at the climbing fiber to Purkinje cell synapse
Articolo
Molecular Dynamics and Machine Learning Give Insights on the Flexibility-Activity Relationships in Tyrosine Kinome
Articolo
Protein Flexibility in Virtual Screening: The BACE-1 Case Study
Articolo
Voronoi Tessellation as a Tool for Predicting the Formation of Deep Eutectic Solvents
Articolo
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