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» Stochastic roadmap simulation for the study of ligand-protei...
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ECCB
2002
IEEE
13 years 10 months ago
Stochastic roadmap simulation for the study of ligand-protein interactions
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...
CIBCB
2006
IEEE
13 years 11 months ago
A Stochastic model to estimate the time taken for Protein-Ligand Docking
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. ...
RECOMB
2006
Springer
14 years 5 months ago
Predicting Experimental Quantities in Protein Folding Kinetics Using Stochastic Roadmap Simulation
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...
ATAL
2006
Springer
13 years 9 months ago
Study of social consciousness in stochastic agent based simulations: application to supply chains
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
SIAMCO
2010
128views more  SIAMCO 2010»
13 years 5 hour ago
A Class of Self-Interacting Processes with Applications to Games and Reinforced Random Walks
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
Michel Benaïm, Olivier Raimond