49 citations · 49 across the 2 of their papers we have counts for
4 papers
Calculating the r^{-n} Interactions, 1<= n< 3, in a Periodic System with a Neutralizing Background Charge Density
Minghong G. Wu
The interaction energy, , for a infinitely periodic system with explicit charges and a neutralizing, uniform background charge density is derived. An Ewald bas…
Monte Carlo Study of the Nucleation Process during Zeolite Synthesis
Minghong G. Wu, Michael W. Deem
An atomic-scale model for silicate solutions is introduced for investigation of the nucleation process during zeolite synthesis in the absence of a structure directing agent. Monte…
Analytical Rebridging Monte Carlo: Application to cis/trans Isomerization in Proline-Containing, Cyclic Peptides
Minghong G. Wu, Michael W. Deem
We present a new method, the analytical rebridging scheme, for Monte Carlo simulation of proline-containing, cyclic peptides. The cis/trans isomerization is accommodated by allowin…
Efficient Monte Carlo Methods for Cyclic Peptides
Minghong G. Wu, Michael W. Deem
We present a new, biased Monte Carlo scheme for simulating complex, cyclic peptides. Backbone atoms are equilibrated with a biased rebridging scheme, and side-chain atoms are equil…