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| Content Provider | Springer Nature Link |
|---|---|
| Author | Piotto, S. Di Biasi, L. Fi, R. Parisi, R. Sessa, L. Concilio, S. |
| Copyright Year | 2016 |
| Abstract | Molecular docking is a computational method employed to estimate the binding between a small ligand (the drug candidate) and a protein receptor that has become a standard part of workflow in drug discovery. Generally, when the binding site is known and a molecule is similar to known ligands, the most popular docking methods are rather accurate in the prediction of the geometry. Unfortunately, when the binding site is unknown, the blind docking analysis requires large computational resources and the results are often not accurate. Here we present Yada, a new tool for molecular docking that is capable to distribute efficiently calculations onto general purposes computer grid and that combines biological and structural information of the receptor. Yada is available for Windows and Linux and it is free to download at www.yada.unisa.it . |
| Starting Page | 753 |
| Ending Page | 759 |
| Page Count | 7 |
| File Format | |
| ISSN | 0920654X |
| Journal | Journal of Computer-Aided Molecular Design |
| Volume Number | 30 |
| Issue Number | 9 |
| e-ISSN | 15734951 |
| Language | English |
| Publisher | Springer International Publishing |
| Publisher Date | 2016-08-26 |
| Publisher Place | Cham |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Molecular docking Yada Sequence conservation Phylogenetic information Physical Chemistry Computer Applications in Chemistry Animal Anatomy / Morphology / Histology |
| Content Type | Text |
| Resource Type | Article |
| Subject | Drug Discovery Physical and Theoretical Chemistry Computer Science Applications |
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