Kinetics of Drug Release from Clay Using Enhanced Sampling Methods

• मुख्य लेखकों: Ana Borrego-Sánchez (लेखक), Jayashrita Debnath (लेखक), Michele Parrinello (लेखक)
• स्वरूप: पुस्तक
• प्रकाशित: MDPI AG, 2022-11-01T00:00:00Z.
• विषय: article
• ऑनलाइन पहुंच: Connect to this object online.

A key step in the development of a new drug, is the design of drug-excipient complexes that lead to optimal drug release kinetics. Computational chemistry and specifically enhanced sampling molecular dynamics methods can play a key role in this context, by minimizing the need for expensive experimen...