Large-scale simulations and computational modeling using molecular dynamics (MD) continues to make significant impacts in the field of biology. It is well known that simulations...
Sadaf R. Alam, Jeffrey S. Vetter, Pratul K. Agarwa...
: FPGA-based acceleration of molecular dynamics (MD) has been the subject of several recent studies. Here we describe a new non-bonded force computation pipeline implemented on a 2...
Background: RNA structure prediction problem is a computationally complex task, especially with pseudo-knots. The problem is well-studied in existing literature and predominantly ...
S. P. T. Krishnan, Sim Sze Liang, Bharadwaj Veerav...
Molecular Dynamics (MD) involves solving Newton's equations of motion for a molecular system and propagating the system by time-dependent updates of atomic positions and velo...
This paper describes a Wrapper Generator for wrapping high performance legacy codes as Java/CORBA components for use in a distributed component-based problemsolving environment. U...
Maozhen Li, Omer F. Rana, Matthew S. Shields, Davi...