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Works matching IS 0920654X AND DT 2023 AND VI 37 AND IP 7

Results: 4

1

Elucidating the potential effects of point mutations on FGFR3 inhibitor resistance via combined molecular dynamics simulation and community network analysis.

Published in:

Journal of Computer-Aided Molecular Design, 2023, v. 37, n. 7, p. 325, doi. 10.1007/s10822-023-00510-8

By:

Liu, Bo;
Ding, Juntao;
Liu, Yugang;
Wu, Jianzhang;
Wu, Xiaoping;
Chen, Qian;
Li, Wulan

Publication type:

Article

2

Molecular dynamics simulations reveal the inhibition mechanism of Cdc42 by RhoGDI1.

Published in:

Journal of Computer-Aided Molecular Design, 2023, v. 37, n. 7, p. 301, doi. 10.1007/s10822-023-00508-2

By:

Zhang, Yijing;
Chen, Shiyao;
Choi, Taeyoung;
Qi, Yuzheng;
Wang, Qianhui;
Li, Guanyi;
Zhao, Yaxue

Publication type:

Article

3

On the construction of LIECE models for the serotonin receptor 5-HT2AR.

Published in:

Journal of Computer-Aided Molecular Design, 2023, v. 37, n. 7, p. 313, doi. 10.1007/s10822-023-00507-3

By:

Shahraki, Aida;
Selent, Jana;
Kolb, Peter

Publication type:

Article

4

Insights into the coordination chemistry of antineoplastic doxorubicin with 3d-transition metal ions Zn<sup>2+</sup>, Cu<sup>2+</sup>, and VO<sup>2+</sup>: a study using well-calibrated thermodynamic cycles and chemical interaction quantum chemistry models

Published in:

Journal of Computer-Aided Molecular Design, 2023, v. 37, n. 7, p. 279, doi. 10.1007/s10822-023-00506-4

By:

Reyna-Luna, Julieta;
Soriano-Agueda, Luis;
Vera, Christiaan Jardinez;
Franco-Pérez, Marco

Publication type:

Article