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Works matching IS 0920654X AND DT 2022 AND VI 36 AND IP 7

Results: 5

1

Crystal polymorphism and spectroscopical properties of sulfonamides in solid state by means of First Principles calculations.

Published in:

Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 7, p. 549, doi. 10.1007/s10822-022-00465-2

By:

Sainz-Díaz, C. Ignacio;
de la Luz, Alexander Pérez;
Barrientos-Salcedo, Carolina;
Francisco-Márquez, Misaela;
Soriano-Correa, Catalina

Publication type:

Article

2

On the force field optimisation of β-lactam cores using the force field Toolkit.

Published in:

Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 7, p. 537, doi. 10.1007/s10822-022-00464-3

By:

Wu, Qiyang;
Huang, Tianyang;
Xia, Songyan;
Otto, Frank;
Lee, Tzong-Yi;
Huang, Hsien-Da;
Chiang, Ying-Chih

Publication type:

Article

3

In silico identification and in vitro antiviral validation of potential inhibitors against Chikungunya virus.

Published in:

Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 7, p. 521, doi. 10.1007/s10822-022-00463-4

By:

Verma, Jyoti;
Hasan, Abdul;
Sunil, Sujatha;
Subbarao, Naidu

Publication type:

Article

4

Identification of HPr kinase/phosphorylase inhibitors: novel antimicrobials against resistant Enterococcus faecalis.

Published in:

Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 7, p. 507, doi. 10.1007/s10822-022-00461-6

By:

Kumar, Sandeep;
Bhadane, Rajendra;
Shandilya, Shruti;
Salo-Ahen, Outi M. H.;
Kapila, Suman

Publication type:

Article

5

Ligand-based and structure-based studies to develop predictive models for SARS-CoV-2 main protease inhibitors through the 3d-qsar.com portal.

Published in:

Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 7, p. 483, doi. 10.1007/s10822-022-00460-7

By:

Proia, Eleonora;
Ragno, Alessio;
Antonini, Lorenzo;
Sabatino, Manuela;
Mladenovič, Milan;
Capobianco, Roberto;
Ragno, Rino

Publication type:

Article