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Works matching IS 0920654X AND DT 2018 AND VI 32 AND IP 11

Results: 6

1

Investigating cyclic peptides inhibiting CD2-CD58 interactions through molecular dynamics and molecular docking methods.

Published in:

Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 11, p. 1295, doi. 10.1007/s10822-018-0172-4

By:

Leherte, Laurence;
Petit, Axel;
Vercauteren, Daniel P.;
Laurent, Adèle D.;
Jacquemin, Denis

Publication type:

Article

2

Boosted feature selectors: a case study on prediction P-gp inhibitors and substrates.

Published in:

Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 11, p. 1273, doi. 10.1007/s10822-018-0171-5

By:

Cerruela García, Gonzalo;
García-Pedrajas, Nicolás

Publication type:

Article

3

Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics.

Published in:

Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 11, p. 1259, doi. 10.1007/s10822-018-0164-4

By:

Siani, P.;
Dias, L. G.;
Khandelia, H.;
Orsi, M.

Publication type:

Article

4

Weak interactions in furan dimers.

Published in:

Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 11, p. 1247, doi. 10.1007/s10822-018-0163-5

By:

Majerz, Irena

Publication type:

Article

5

In silico fragment-mapping method: a new tool for fragment-based/structure-based drug discovery.

Published in:

Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 11, p. 1229, doi. 10.1007/s10822-018-0160-8

By:

Yamaotsu, Noriyuki;
Hirono, Shuichi

Publication type:

Article

6

Using steered molecular dynamics to study the interaction between ADP and the nucleotide-binding domain of yeast Hsp70 protein Ssa1.

Published in:

Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 11, p. 1217, doi. 10.1007/s10822-018-0136-8

By:

Zhang, Qiaoshi;
Sun, Yuna;
Zhou, Xiaohong;
Song, Youtao;
Xue, You-Lin;
Hurley, Ian P.;
Jones, Gary W.

Publication type:

Article