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JCC
2007
88views more  JCC 2007»
13 years 7 months ago
Recent advances in planar tetracoordinate carbon chemistry
: We summarize our contributions on the quest of new planar tetracoordinate carbon entities (new carbon molecules with exotic chemical structures and strange bonding schemes). We g...
Gabriel Merino, Miguel A. Méndez-Rojas, Alb...
JCC
2008
88views more  JCC 2008»
13 years 7 months ago
A self-organizing algorithm for molecular alignment and pharmacophore development
Abstract: We present a method for simultaneous three-dimensional (3D) structure generation and pharmacophorebased alignment using a self-organizing algorithm called Stochastic Prox...
Deepak Bandyopadhyay, Dimitris K. Agrafiotis
JCC
2011
154views more  JCC 2011»
12 years 10 months ago
Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database
: Docking is one of the most commonly used techniques in drug design. It is used for both identifying correct poses of a ligand in the binding site of a protein as well as for the ...
Dariusz Plewczynski, Michal Lazniewski, Rafal Augu...