Potentialofmeanforce相关论文
Understanding the process of target molecules reaching solid surfaces in aqueous environment is of great importance in p......
Calcium-Silicate-Hydrate (or C-S-H), the major binding phase in cement pastes and concretes, is a porous hydrated materi......
Calculation of the Potential of Mean Force of a High-level Hamiltonian from a Low-level One:A Combin
The potential of mean force(PMF)is known as a useful tool in the study of chemical reactions.The calculations of PMF can......
Cholesterol-dependent cytolysins(CDCs) are a large family of bacterial pore-forming toxins,specifically binding to c......
Computing Free Energy of States and Potential of Mean Force at High Levels from Low Level Simulation
Free energy calculations at high levels such as QM(ai)/MM level are very expensive,due that extensive phase space sa......
Molecular dynamics simulations for the study of deafness-related M34T and C169Y mutations of connexi
Connexins (Cx) are tetraspan transmembrane proteins that form hexameric assemblies in the plasma membrane known as hemic......
