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...
Abstract— Quantum mechanics and molecular dynamic simulation provide important insights into structural configurations and molecular interaction data today. To extend this atomi...
Preetam Ghosh, Samik Ghosh, Kalyan Basu, Sajal K. ...
Abstract. This paper presents a new method for studying protein folding kinetics. It uses the recently introduced Stochastic Roadmap Simulation (SRS) method to estimate the transit...
Tsung-Han Chiang, Mehmet Serkan Apaydin, Douglas L...
Empirical game theory allows studying the strategic interactions of agents in simulations. Specifically, traditional game theory describes such interactions by an analytical model...
Thierry Moyaux, Brahim Chaib-draa, Sophie D'Amours
Abstract. This paper studies a class of non-Markovian and nonhomogeneous stochastic processes on a finite state space. Relying on a recent paper by Bena