Conformational changes that occur upon ligand binding may be too slow to observe on the time scales routinely accessible using molecular dynamics simulations. The adaptive integration method (AIM) leverages the notion that when a ligand is either fully coupled or decoupled, according to λ, barrier heights may change, making some conformational transitions more accessible at certain λ values. AI...

The aim of thermodynamic integration is to compute the difference in a thermodynamic property (usually the free energy) of the system between some reference state and the state of interest. To measure the free energy change from initial to final state, thermodynamic parameters characterizing the system are changed infinitely slowly so that at each stage along the path the system is in equilibri...

Massive on–shell operator matrix elements and self-energy diagrams with outer gluon lines are calculated analytically at O(αs), using Mellin–Barnes integrals and representations through generalized hypergeometric functions. This method allows for a direct evaluation without decomposing the integrals using the integration-by-parts method.

The unshielded twisted pair can be used as a transmission media for local distribution networks. To maintain a high transmission throughput, an analog or a digital adaptive channel equalizer is usually required in the receiver to minimize the effect of inter-symbol interference. Under the observation that the high sampling rate high precision A/D and subsequent digital adaptive signal processin...