The dynamics of ligand-protein interactions are necessary to understand for the design of novel therapeutic agents. In this paper, we establish the use of Stochastic Roadmap Simul...
Mehmet Serkan Apaydin, Carlos Guestrin, Chris Varm...
We present a novel simulation tool to study fluid mixtures that are simultaneously chemically reacting and adsorbing within a molecularly porous material. The method is a combinat...
Background: Recent approaches for predicting the three-dimensional (3D) structure of proteins such as de novo or fold recognition methods mostly rely on simplified energy potentia...
Discounted cash flow (DCF) is the most accepted approach for company valuation. It is well grounded in theory and practice. However, the DCF approach, which is commonly used for t...
Maged Ali, Ramzi El-Haddadeh, Tillal Eldabi, Ebrah...
While existing mathematical descriptions can accurately account for phenomena at microscopic scales (e.g. molecular dynamics), these are often high-dimensional, stochastic and thei...