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Works in Journal of Computer-Aided Molecular Design, 2018, Vol 32, Issue 12

Results: 5

1

Structural explanation for the tunable substrate specificity of an E. coli nucleoside hydrolase: insights from molecular dynamics simulations.

Published in:

Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 12, p. 1375, doi. 10.1007/s10822-018-0178-y

By:

Lenz, Stefan A. P.;
Wetmore, Stacey D.

Publication type:

Article

2

Individually double minimum-distance definition of protein-RNA binding residues and application to structure-based prediction.

Published in:

Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 12, p. 1363, doi. 10.1007/s10822-018-0177-z

By:

Hu, Wen;
Qin, Liu;
Li, Menglong;
Pu, Xuemei;
Guo, Yanzhi

Publication type:

Article

3

Quantum chemical and molecular mechanics studies on the assessment of interactions between resveratrol and mutant SOD1 (G93A) protein.

Published in:

Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 12, p. 1347, doi. 10.1007/s10822-018-0175-1

By:

Srinivasan, E.;
Rajasekaran, R.

Publication type:

Article

4

Could the presence of sodium ion influence the accuracy and precision of the ligand-posing in the human A<sub>2A</sub> adenosine receptor orthosteric binding site using a molecular docking approach? Insights from Dockbench.

Published in:

Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 12, p. 1337, doi. 10.1007/s10822-018-0174-2

By:

Margiotta, Enrico;
Deganutti, Giuseppe;
Moro, Stefano

Publication type:

Article

5

Mycobacterium tuberculosis serine/threonine protein kinases: structural information for the design of their specific ATP-competitive inhibitors.

Published in:

Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 12, p. 1315, doi. 10.1007/s10822-018-0173-3

By:

Caballero, Julio;
Morales-Bayuelo, Alejandro;
Navarro-Retamal, Carlos

Publication type:

Article