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Works matching IS 0920654X AND DT 2023 AND VI 37 AND IP 3

Results: 4

1

Inhibition mechanism of MRTX1133 on KRAS<sup>G12D</sup>: a molecular dynamics simulation and Markov state model study.

Published in:

Journal of Computer-Aided Molecular Design, 2023, v. 37, n. 3, p. 157, doi. 10.1007/s10822-023-00498-1

By:

Liang, Fanglin;
Kang, Zhengzhong;
Sun, Xianqiang;
Chen, Jiao;
Duan, Xuemin;
He, Hu;
Cheng, Jianxin

Publication type:

Article

2

GPCRLigNet: rapid screening for GPCR active ligands using machine learning.

Published in:

Journal of Computer-Aided Molecular Design, 2023, v. 37, n. 3, p. 147, doi. 10.1007/s10822-023-00497-2

By:

Remington, Jacob M;
McKay, Kyle T;
Beckage, Noah B;
Ferrell, Jonathon B;
Schneebeli, Severin T.;
Li, Jianing

Publication type:

Article

3

pH-dependent solubility prediction for optimized drug absorption and compound uptake by plants.

Published in:

Journal of Computer-Aided Molecular Design, 2023, v. 37, n. 3, p. 129, doi. 10.1007/s10822-023-00496-3

By:

Bonin, Anne;
Montanari, Floriane;
Niederführ, Sebastian;
Göller, Andreas H.

Publication type:

Article

4

Identification of potential inhibitors of Mycobacterium tuberculosis shikimate kinase: molecular docking, in silico toxicity and in vitro experiments.

Published in:

Journal of Computer-Aided Molecular Design, 2023, v. 37, n. 3, p. 117, doi. 10.1007/s10822-022-00495-w

By:

Freitas de Freitas, Talita;
Roth, Candida Deves;
Abbadi, Bruno Lopes;
Hopf, Fernanda Souza Macchi;
Perelló, Marcia Alberton;
de Matos Czeczot, Alexia;
de Souza, Eduardo Vieira;
Borsoi, Ana Flávia;
Machado, Pablo;
Bizarro, Cristiano Valim;
Basso, Luiz Augusto;
Timmers, Luis Fernando Saraiva Macedo

Publication type:

Article