MJ
2008
13 years 4 months ago
2008
This paper presents a molecular mechanics study using a molecular dynamics software (NAMD) coupled to virtual reality (VR) techniques for intuitive bio-nanorobotic prototyping. Us...
JIB
2006
13 years 4 months ago
2006
3D-structures of proteins and potential ligands are the cornerstones of rational drug design. The first brick to build upon is selecting a protein target and finding out whether b...
JCB
2006
13 years 4 months ago
2006
Protein fold recognition is an important step towards understanding protein three-dimensional structures and their functions. A conditional graphical model, i.e., segmentation con...
JCC
2008
13 years 4 months ago
2008
: We introduce PULCHRA, a fast and robust method for the reconstruction of full-atom protein models starting from a reduced protein representation. The algorithm is particularly su...
JCC
2008
13 years 4 months ago
2008
Loop closure in proteins requires computing the values of the inverse kinematics (IK) map for a backbone fragment with 2n 6 torsional degrees of freedom (dofs). It occurs in a va...
JBI
2008
13 years 4 months ago
2008
Protein data contain discriminative patterns that can be used in many beneficial applications if they are defined correctly. In this work sequential pattern mining (SPM) is utiliz...
BMCBI
2007
13 years 4 months ago
2007
Background: We performed an exhaustive search for local structural similarities in an ensemble of non-redundant protein functional sites. With the purpose of finding new examples ...
BMCBI
2007
13 years 4 months ago
2007
Background: Predicting a protein’s structural class from its amino acid sequence is a fundamental problem in computational biology. Much recent work has focused on developing ne...
BMCBI
2007
13 years 4 months ago
2007
nd: A key abstraction in representing proteomics knowledge is the notion of unique identifiers for individual entities (e.g. proteins) and the massive graph of relationships among...
BMCBI
2007
13 years 4 months ago
2007
Background: Structural genomics initiatives are producing increasing numbers of threedimensional (3D) structures for which there is little functional information. Structure-based ...