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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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Detalles Bibliográficos
Publicado en:Expert Opin Drug Discov
Autores principales: Bhattarai, Apurba, Miao, Yinglong
Formato: Artigo
Lenguaje:Inglês
Publicado: 2018
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Acceso en línea: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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