Novel Non-Peptide Inhibitors against SmCL1 of Schistosoma mansoni: In Silico Elucidation, Implications and Evaluation via Knowledge Based Drug Discovery. [electronic resource]
Producer: 20160202Description: e0123996 p. digitalISSN:- 1932-6203
- Algorithms
- Amino Acid Sequence
- Animals
- Anthelmintics -- chemistry
- Catalytic Domain
- Cathepsins -- antagonists & inhibitors
- Computer Simulation
- Drug Discovery
- Drug Evaluation, Preclinical
- Helminth Proteins -- antagonists & inhibitors
- Hydrogen Bonding
- Knowledge
- Ligands
- Molecular Dynamics Simulation
- Molecular Sequence Data
- Peptides -- pharmacology
- Protease Inhibitors -- chemistry
- ROC Curve
- Reproducibility of Results
- Schistosoma mansoni -- drug effects
- Sequence Alignment
- Sequence Homology, Amino Acid
- Static Electricity
- Structure-Activity Relationship
- Thermodynamics
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Publication Type: Journal Article
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