Works matching IS 17590876 AND DT 2021 AND VI 11 AND IP 3

Results: 11

Cover Image, Volume 11, Issue 3.

Published in:

WIREs: Computational Molecular Science, 2021, v. 11, n. 3, p. 1, doi. 10.1002/wcms.1533

By:

Yang, Su‐Qing;
Ye, Qing;
Ding, Jun‐Jie;
Yin;
Lu, Ai‐Ping;
Chen, Xiang;
Hou, Ting‐Jun;
Cao, Dong‐Sheng

Publication type:

Article

Cover Image, Volume 11, Issue 3.

Published in:

WIREs: Computational Molecular Science, 2021, v. 11, n. 3, p. 1, doi. 10.1002/wcms.1532

By:

Nierzwicki, Łukasz;
Arantes, Pablo Ricardo;
Saha, Aakash;
Palermo, Giulia

Publication type:

Article

Computational aspects towards understanding the photoprocesses in eumelanin.

Published in:

WIREs: Computational Molecular Science, 2021, v. 11, n. 3, p. 1, doi. 10.1002/wcms.1505

By:

Ghosh, Debashree

Publication type:

Article

Current advances in ligand‐based target prediction.

Published in:

WIREs: Computational Molecular Science, 2021, v. 11, n. 3, p. 1, doi. 10.1002/wcms.1504

By:

Yang, Su‐Qing;
Ye, Qing;
Ding, Jun‐Jie;
Yin;
Lu, Ai‐Ping;
Chen, Xiang;
Hou, Ting‐Jun;
Cao, Dong‐Sheng

Publication type:

Article

Establishing the allosteric mechanism in CRISPR‐Cas9.

Published in:

WIREs: Computational Molecular Science, 2021, v. 11, n. 3, p. 1, doi. 10.1002/wcms.1503

By:

Nierzwicki, Łukasz;
Arantes, Pablo Ricardo;
Saha, Aakash;
Palermo, Giulia

Publication type:

Article

The challenge of predicting distal active site mutations in computational enzyme design.

Published in:

WIREs: Computational Molecular Science, 2021, v. 11, n. 3, p. 1, doi. 10.1002/wcms.1502

By:

Osuna, Sílvia

Publication type:

Article

Applications of isodesmic‐type reactions for computational thermochemistry.

Published in:

WIREs: Computational Molecular Science, 2021, v. 11, n. 3, p. 1, doi. 10.1002/wcms.1501

By:

Chan, Bun;
Collins, Eric;
Raghavachari, Krishnan

Publication type:

Article

High‐throughput computational design of halide perovskites and beyond for optoelectronics.

Published in:

WIREs: Computational Molecular Science, 2021, v. 11, n. 3, p. 1, doi. 10.1002/wcms.1500

By:

Li, Yuheng;
Yang, Kesong

Publication type:

Article

Atomistic modeling of electrocatalysis: Are we there yet?

Published in:

WIREs: Computational Molecular Science, 2021, v. 11, n. 3, p. 1, doi. 10.1002/wcms.1499

By:

Abidi, Nawras;
Lim, Kang Rui Garrick;
Seh, Zhi Wei;
Steinmann, Stephan N.

Publication type:

Article

Theoretical study of excitation energy transfer and nonlinear spectroscopy of photosynthetic light‐harvesting complexes using the nonperturbative reduced dynamics method.

Published in:

WIREs: Computational Molecular Science, 2021, v. 11, n. 3, p. 1, doi. 10.1002/wcms.1498

By:

Yan, Yaming;
Liu, Yanying;
Xing, Tao;
Shi, Qiang

Publication type:

Article

Issue Information.

Published in:: WIREs: Computational Molecular Science, 2021, v. 11, n. 3, p. 1, doi. 10.1002/wcms.1485
Publication type:: Article