Molecular surface computations are often necessary in order to perform synthetic drug design. A critical step in this process is the computation and update of an exact boundary re...
Chandrajit L. Bajaj, Valerio Pascucci, Robert J. H...
To address the challenges of information integration and retrieval, the computational genomics community increasingly has come to rely on the methodology of creating annotations o...
David P. Hill, Barry Smith, Monica S. McAndrews-Hi...
Molecular surfaces play an important role in studying the interactions between molecules. Visualizing the dynamic behavior of molecules is particularly interesting to gain insight...
Norbert Lindow, Daniel Baum, Steffen Prohaska, Han...
We present a Fortran program to compute the distribution of dipole moments of free particles for use in analyzing molecular beams experiments that measure moments by deflection in...
G. E. Ballentine, G. F. Bertsch, N. Onishi, K. Yab...
Using graph transformation as a formalism to specify model transformation, termination and confluence of the graph transformation system are often required properties. Only under ...