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Works matching IS 01928651 AND DT 2023 AND VI 44 AND IP 8

Results: 7

1

Quality over quantity: Sampling high probability rare events with the weighted ensemble algorithm.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 8, p. 935, doi. 10.1002/jcc.27054

By:

Roussey, Nicole M.;
Dickson, Alex

Publication type:

Article

2

Structure and stability of polydiacetylene membrane systems: Molecular dynamics simulation studies.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 8, p. 927, doi. 10.1002/jcc.27053

By:

Nam, Youhyun;
Lee, Songyi;
Chang, Rakwoo

Publication type:

Article

3

Benchmarking biomolecular force field‐based Zn<sup>2+</sup> for mono‐ and bimetallic ligand binding sites.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 8, p. 912, doi. 10.1002/jcc.27052

By:

Melse, Okke;
Antes, Iris;
Kaila, Ville R. I.;
Zacharias, Martin

Publication type:

Article

4

A formula and numerical study on Ewald 1D summation.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 8, p. 902, doi. 10.1002/jcc.27051

By:

Pan, Cong

Publication type:

Article

5

Large scale peptide screening against main protease of SARS CoV‐2.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 8, p. 887, doi. 10.1002/jcc.27050

By:

Uddin, Md. Jaish;
Akhter, Hasina;
Chowdhury, Urmi;
Mawah, Jannatul;
Karim, Sanzida Tul;
Jomel, Mohammad;
Islam, Md. Sirajul;
Islam, Mohammad Raqibul;
Onin, Latifa Afrin Bhuiyan;
Ali, Md. Ackas;
Efaz, Faiyaz Md.;
Halim, Mohammad A.

Publication type:

Article

6

Aggregation propensities of proteins with varying degrees of disorder.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 8, p. 874, doi. 10.1002/jcc.27049

By:

Dey, Priya;
Biswas, Parbati

Publication type:

Article

7

Issue Information.

Published in:: Journal of Computational Chemistry, 2023, v. 44, n. 8, p. 869, doi. 10.1002/jcc.26902
Publication type:: Article