Works matching IS 17590876 AND DT 2022 AND VI 12 AND IP 6

Results: 10

Machine learning solutions for predicting protein–protein interactions.

Published in:

WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1618

By:

Casadio, Rita;
Martelli, Pier Luigi;
Savojardo, Castrense

Publication type:

Article

New phase space formulations and quantum dynamics approaches.

Published in:

WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1619

By:

He, Xin;
Wu, Baihua;
Shang, Youhao;
Li, Bingqi;
Cheng, Xiangsong;
Liu, Jian

Publication type:

Article

n2v: A density‐to‐potential inversion suite. A sandbox for creating, testing, and benchmarking density functional theory inversion methods.

Published in:

WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1617

By:

Shi, Yuming;
Chávez, Victor H.;
Wasserman, Adam

Publication type:

Article

Cover Image, Volume 12, Issue 6.

Published in:

WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1648

By:

He, Xin;
Wu, Baihua;
Shang, Youhao;
Li, Bingqi;
Cheng, Xiangsong;
Liu, Jian

Publication type:

Article

Catalyst design within asymmetric organocatalysis.

Published in:

WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1616

By:

Iribarren, Iñigo;
Garcia, Marianne Rica;
Trujillo, Cristina

Publication type:

Article

Diffusion Monte Carlo approaches for studying nuclear quantum effects in fluxional molecules.

Published in:

WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1615

By:

DiRisio, Ryan J.;
Finney, Jacob M.;
McCoy, Anne B.

Publication type:

Article

Time‐dependent density matrix renormalization group method for quantum dynamics in complex systems.

Published in:

WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1614

By:

Ren, Jiajun;
Li, Weitang;
Jiang, Tong;
Wang, Yuanheng;
Shuai, Zhigang

Publication type:

Article

Power of stochastic kinetic models: From biological signaling and antibiotic activities to T cell activation and cancer initiation dynamics.

Published in:

WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1612

By:

Teimouri, Hamid;
Kolomeisky, Anatoly B.

Publication type:

Article

Beyond energetic and scalar measures: Next generation quantum theory of atoms in molecules.

Published in:

WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1611

By:

Kirk, Steven R.;
Jenkins, Samantha

Publication type:

Article

Issue Information.

Published in:: WIREs: Computational Molecular Science, 2022, v. 12, n. 6, p. 1, doi. 10.1002/wcms.1553
Publication type:: Article