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Volumn 4, Issue 7, 2009, Pages 1164-1173

Design and discovery of plasmepsin II inhibitors using an automated workflow on large-scale grids

(9) Degliesposti, Gianluca a Kasam, Vinod b,c Da Costa, Ana b Kang, Hee Kyoung d Kim, Nahyun e Kim, Do Won f Breton, Vincent b Kim, Doman d Rastelli, Giulio a

a UNIVERSITY OF MODENA AND REGGIO EMILIA (Italy)

b UNIVERSITÉ BLAISE PASCAL (France)

c FRAUNHOFER INSTITUTE FOR ALGORITHMS AND SCIENTIFIC COMPUTING SCAI (Germany)

d Chonnam National University (South Korea)

e Korea Minjok Leadership Academy (South Korea)

f Gangneung Wonju National University (South Korea)

Author keywords

Binding energy; Grids; Malaria; Plasmepsins; Virtual screening

Indexed keywords

AMIDE; AMIDINE; GUANIDINE DERIVATIVE; N ALKOXYAMIDINE DERIVATIVE; PLASMEPSIN II; PLASMEPSIN INHIBITOR; THIOUREA DERIVATIVE; UNCLASSIFIED DRUG; UREA DERIVATIVE;

ARTICLE; AUTOMATION, COMPUTERS AND DATA PROCESSING; BINDING AFFINITY; BINDING SITE; BIOASSAY; CHEMICAL STRUCTURE; CONTROLLED STUDY; ENZYME ACTIVITY; FLUORESCENCE RESONANCE ENERGY TRANSFER; HYDROGEN BOND; HYDROLYSIS; HYDROPHOBICITY; IC 50; MOLECULAR DYNAMICS; NONHUMAN; PLASMODIUM FALCIPARUM; PRIORITY JOURNAL; PROTEIN EXPRESSION; PROTEIN PURIFICATION; SCREENING;

ANIMALS; ASPARTIC ENDOPEPTIDASES; COMBINATORIAL CHEMISTRY TECHNIQUES; COMPUTER SIMULATION; DRUG DESIGN; ENZYME INHIBITORS; PLASMODIUM FALCIPARUM; PROTOZOAN PROTEINS; RECOMBINANT PROTEINS; SOFTWARE;

EID: 67749097923 PISSN: 18607179 EISSN: 18607187 Source Type: Journal
DOI: 10.1002/cmdc.200900111 Document Type: Article

Times cited : (38)

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