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BMCBI
2008
111views more  BMCBI 2008»
14 years 9 months ago
Molecular docking studies of dithionitrobenzoic acid and its related compounds to protein disulfide isomerase: computational scr
Background: Entry of HIV-1 into human lymphoid requires activities of viral envelope glycoproteins gp120 and gp41, and two host-cell proteins, the primary receptor CD4 and a chemo...
Uthaman Gowthaman, Mannu Jayakanthan, Durai Sundar
CPHYSICS
2008
123views more  CPHYSICS 2008»
14 years 9 months ago
wannier90: A tool for obtaining maximally-localised Wannier functions
We present wannier90, a program for calculating maximally-localised Wannier functions (MLWF) from a set of Bloch energy bands that may or may not be attached to or mixed with othe...
Arash A. Mostofi, Jonathan R. Yates, Young-Su Lee,...
BMCBI
2006
149views more  BMCBI 2006»
14 years 9 months ago
Identification of biomarkers from mass spectrometry data using a "common" peak approach
Background: Proteomic data obtained from mass spectrometry have attracted great interest for the detection of early-stage cancer. However, as mass spectrometry data are high-dimen...
Tadayoshi Fushiki, Hironori Fujisawa, Shinto Eguch...
CGF
2006
120views more  CGF 2006»
14 years 9 months ago
Enhancing the Interactive Visualization of Procedurally Encoded Multifield Data with Ellipsoidal Basis Functions
Functional approximation of scattered data is a popular technique for compactly representing various types of datasets in computer graphics, including surface, volume, and vector ...
Yun Jang, Ralf P. Botchen, Andreas Lauser, David S...
BMCBI
2007
102views more  BMCBI 2007»
14 years 9 months ago
Setting up a large set of protein-ligand PDB complexes for the development and validation of knowledge-based docking algorithms
Background: The number of algorithms available to predict ligand-protein interactions is large and ever-increasing. The number of test cases used to validate these methods is usua...
Luis A. Diago, Persy Morell, Longendri Aguilera, E...