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Works in Journal of Computer-Aided Molecular Design, 2019, Vol 33, Issue 8

Results: 6

1

Insights into the EGFR SAR of N-phenylquinazolin-4-amine-derivatives using quantum mechanical pairwise-interaction energies.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 8, p. 745, doi. 10.1007/s10822-019-00221-z

By:

Simeon, Saw;
Jongkon, Nathjanan;
Chotpatiwetchkul, Warot;
Gleeson, M. Paul

Publication type:

Article

2

Evaluation of different virtual screening strategies on the basis of compound sets with characteristic core distributions and dissimilarity relationships.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 8, p. 729, doi. 10.1007/s10822-019-00218-8

By:

Miyao, Tomoyuki;
Jasial, Swarit;
Bajorath, Jürgen;
Funatsu, Kimito

Publication type:

Article

3

How computational chemistry develops: a tribute to Peter Goodford.

Published in:

2019

By:

Cruciani, Gabriele;
Martin, Yvonne;
Vinter, Andy;
Lewis, Richard;
Gago, Federico;
Stouch, Terry R.

Publication type:

Editorial

4

ART–RRT: As-Rigid-As-Possible search for protein conformational transition paths.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 8, p. 705, doi. 10.1007/s10822-019-00216-w

By:

Nguyen, Minh Khoa;
Jaillet, Léonard;
Redon, Stéphane

Publication type:

Article

5

Rational Design, synthesis and biological evaluation of novel triazole derivatives as potent and selective PRMT5 inhibitors with antitumor activity.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 8, p. 775, doi. 10.1007/s10822-019-00214-y

By:

Zhu, Kongkai;
Shao, Jingwei;
Tao, Hongrui;
Yan, Xue;
Luo, Cheng;
Zhang, Hua;
Duan, Wenhu

Publication type:

Article

6

Structure based design of selective SHP2 inhibitors by De novo design, synthesis and biological evaluation.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 8, p. 759, doi. 10.1007/s10822-019-00213-z

By:

Liu, Wen-Shan;
Jin, Wen-Yan;
Zhou, Liang;
Lu, Xing-Hua;
Li, Wei-Ya;
Ma, Ying;
Wang, Run-Ling

Publication type:

Article