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Gaussian Accelerated Molecular Dynamics for Elucidation of Drug Pathways
INTRODUCTION: Understanding pathways and mechanisms of drug binding to receptors is important for rational drug design. Remarkable advances in supercomputing and methodological developments have opened a new era for application of computer simulations in predicting drug-receptor interactions at an a...
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| Vydáno v: | Expert Opin Drug Discov |
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| Hlavní autoři: | , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
2018
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6450802/ https://ncbi.nlm.nih.gov/pubmed/30371112 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/17460441.2018.1538207 |
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