Sökning: "potentials of mean force"
Hittade 4 avhandlingar innehållade orden potentials of mean force.
1. Non-Steroidal Anti-Inflammatory Drugs in Cyclooxygenases 1 and 2 : Binding modes and mechanisms from computational methods and free energy calculations
Sammanfattning : Non-steroidal anti-inflammatory drugs (NSAIDs) are one of the most commonly used classes of drugs. They target the cyclooxygenases (COX) 1 and 2 to reduce the physiological responses of pain, fever, and inflammation. Due to their role in inducing angiogenesis, COX proteins have also been identified as targets in cancer therapies. LÄS MER
2. Atomistic computer simulations of lipid bilayers
Sammanfattning : Computer simulation has become an important tool for the study of biomolecular systems. This thesis deals with molecular dynamics simulations of one-component lipid bilayers, which may serve as models for biological membranes. LÄS MER
3. Computational Studies on Homogeneous Water Oxidation Catalysts
Sammanfattning : To combat the increasing energy demand and climate change, artificial photosynthesis is a promising approach to producing renewables by storing energy into chemicals and fuels. Water oxidation, responsible for offering electrons and protons to the reduction reactions, suffers from slow kinetics. LÄS MER
4. On hydroxyapatite modified peek implants for bone applications
Sammanfattning : People are living longer today than ever before, and the number of older adults will increase exponentially over the next coming years. However, that does not necessarily mean that they are living healthier. LÄS MER