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IROS
2007
IEEE
104views Robotics» more  IROS 2007»
13 years 10 months ago
Energy-field reconstruction for haptic-based molecular docking using energy minimization processes
— This paper presents a new method allowing haptic feedback in molecular docking simulations using a minimization process. These simulations, classically used by the pharmaceutic...
Bruno Daunay, Alain Micaelli, Stephane Régn...
ICRA
2007
IEEE
135views Robotics» more  ICRA 2007»
13 years 10 months ago
6 DOF haptic feedback for molecular docking using wave variables
— This paper presents a new method for a six degrees of freedom haptic feedback in molecular docking simulations in virtual reality. The proposed method allows real-time haptic i...
Bruno Daunay, Alain Micaelli, Stephane Régn...
SC
2009
ACM
13 years 11 months ago
FPGA-based acceleration of CHARMM-potential minimization
Energy minimization is an important step in molecular modeling, with applications in molecular docking and in mapping binding sites. Minimization involves repeated evaluation of v...
Bharat Sukhwani, Martin C. Herbordt