- We have developed a performance prediction model for non-bonded interaction computations in molecular dynamics simulations, thereby predicting the optimal cell dimension in a lin...
Manaschai Kunaseth, Rajiv K. Kalia, Aiichiro Nakan...
A methodology is presented which allows comparison between models under different modeling paradigms. Consider the following situation: Two models have been constructed to study d...
A widely acknowledged drawback of many statistical modelling techniques, commonly used in machine learning, is that the resulting model is extremely difficult to interpret. A numb...
A dynamic model of a multiagent system defines a probability distribution over possible system behaviors over time. Alternative representations for such models present tradeoffs i...
Quang Duong, Michael P. Wellman, Satinder P. Singh...
Background: Scoring functions, such as molecular mechanic forcefields and statistical potentials are fundamentally important tools in protein structure modeling and quality assess...