When accounting for structural fluctuations or measurement errors, a single rigid structure may not be sufficient to represent a protein. One approach to solve this problem is to r...
The molecular distance geometry problem can be formulated as the problem of finding an immersion in R3 of a given undirected, nonnegatively weighted graph G. In this paper, we di...
Carlile Lavor, Leo Liberti, Antonio Mucherino, Nel...
Integrating data involving chemical structures is simplified when unique identifiers (UIDs) can be associated with chemical structures. For example, these identifiers can be use...
We present an efficient algorithm for maintaining the boundary and surface area of protein molecules as they undergo conformational changes. We also describe a robust implementati...
Molecular sequence megaclassification is a technique for automated protein sequence analysis and annotation. Implementation of the method has been limited by the need to store and...