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Works matching IS 0920654X AND DT 2019 AND VI 33 AND IP 5

Results: 6

1

Discovery of new multifunctional selective acetylcholinesterase inhibitors: structure-based virtual screening and biological evaluation.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 5, p. 521, doi. 10.1007/s10822-019-00202-2

By:

Jiang, Cheng-Shi;
Ge, Yong-Xi;
Cheng, Zhi-Qiang;
Song, Jia-Li;
Wang, Yin-Yin;
Zhu, Kongkai;
Zhang, Hua

Publication type:

Article

2

Evaluating the performance of MM/PBSA for binding affinity prediction using class A GPCR crystal structures.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 5, p. 487, doi. 10.1007/s10822-019-00201-3

By:

Yau, Mei Qian;
Emtage, Abigail L.;
Chan, Nathaniel J. Y.;
Doughty, Stephen W.;
Loo, Jason S. E.

Publication type:

Article

3

Visualizing protein–ligand binding with chemical energy-wise decomposition (CHEWD): application to ligand binding in the kallikrein-8 S1 Site.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 5, p. 461, doi. 10.1007/s10822-019-00200-4

By:

Raza, Saad;
Ranaghan, Kara E.;
van der Kamp, Marc W.;
Woods, Christopher J.;
Mulholland, Adrian J.;
Azam, Syed Sikander

Publication type:

Article

4

BCL::Mol2D—a robust atom environment descriptor for QSAR modeling and lead optimization.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 5, p. 477, doi. 10.1007/s10822-019-00199-8

By:

Vu, Oanh;
Mendenhall, Jeffrey;
Altarawy, Doaa;
Meiler, Jens

Publication type:

Article

5

Elucidating the druggability of the human proteome with eFindSite.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 5, p. 509, doi. 10.1007/s10822-019-00197-w

By:

Kana, Omar;
Brylinski, Michal

Publication type:

Article

6

ToGo-WF: prediction of RNA tertiary structures and RNA–RNA/protein interactions using the KNIME workflow.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 5, p. 497, doi. 10.1007/s10822-019-00195-y

By:

Yamasaki, Satoshi;
Amemiya, Takayuki;
Yabuki, Yukimitsu;
Horimoto, Katsuhisa;
Fukui, Kazuhiko

Publication type:

Article