From byte to bench to bedside: molecular dynamics simulations and drug discovery

被引：0
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作者：
Mayar Ahmed
Alex M. Maldonado
Jacob D. Durrant
机构：
[1] University of Pittsburgh,Department of Biological Sciences
来源：
BMC Biology | / 21卷
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摘要：
Molecular dynamics (MD) simulations and computer-aided drug design (CADD) have advanced substantially over the past two decades, thanks to continuous computer hardware and software improvements. Given these advancements, MD simulations are poised to become even more powerful tools for investigating the dynamic interactions between potential small-molecule drugs and their target proteins, with significant implications for pharmacological research.
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