Abstract: This note describes the current reimplementation of mathscape that supports all the calculations in my paper ”Mathscapeand Molecular Integrals”.
The molecular docking problem is to determine how molecules interact with other molecules and plays a key role in understanding how cells function. DockingShop is an integrated en...
: We describe a new pipeline for computing non-bonded forces and its integration into the ProtoMol molecular dynamics (MD) code. There are several innovations: a novel interpolatio...
Electrostatic analysis of complicated molecular surfaces arises in a number of nanotechnology applications including: biomolecule design, carbon nanotube simulation, and molecular...
In this paper we describe the development of an ontology of molecular and phenotypic cereals data, realized by integrating existing public web databases with the database developed...