GRID MIFs calculated for OASS-A and OASS-B.

Andrea Mozzarelli (68231); Barbara Campanini (475262); Enea Salsi (475263); Francesca Spyrakis (68226); Gabriele Cruciani (475267); Glen E. Kellogg (204170); Paolo Benedetti (475266); Paolo Felici (475264); Paul F. Cook (475268); Pietro Cozzini (68227); Ratna Singh (475261); Samanta Raboni (475265)

GRID MIFs calculated for OASS-A and OASS-B.

Authors: Andrea Mozzarelli (68231)
Barbara Campanini (475262)
Enea Salsi (475263)
Francesca Spyrakis (68226)
Gabriele Cruciani (475267)
Glen E. Kellogg (204170)
Paolo Benedetti (475266)
Paolo Felici (475264)
Paul F. Cook (475268)
Pietro Cozzini (68227)
Ratna Singh (475261)
Samanta Raboni (475265)
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Doi

Abstract

Red, blue and green contours identify the hydrogen bond acceptor, hydrogen bond donor and hydrophobic MIFs, respectively, calculated for OASS-A (pink cartoons) towards OASS-B (cyan cartoons). In Panel B compounds 1 and 13 are shown in ball and stick.</p

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Last time updated on 12/02/2018