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WIREs Comput Mol Sci
Impact Factor: 8.836
Wiley Interdisciplinary Reviews:
Computational Molecular Science
Volume 8 Issue 2 (March/April 2018)
Page 0 - 0

Cover Image

Cover Image, Volume 8, Issue 2
Published Online: Feb 15 2018
DOI: 10.1002/wcms.1362
The cover image, by Xixi Hu et al., is based on the Advanced Review State‐to‐state photodissociation dynamics of the water molecule, DOI: 10.1002/wcms.1350.
Abstract Full article on Wiley Online Library:   HTML | PDF

Overview

Interaction entropy for computational alanine scanning in protein–protein binding
Published Online: Oct 24 2017
DOI: 10.1002/wcms.1342
Definition of binding free energy difference in alanine scanning mutagenesis process.
Abstract Full article on Wiley Online Library:   HTML | PDF

Advanced Reviews

Growth control, interface behavior, band alignment, and potential device applications of 2D lateral heterostructures
Published Online: Nov 29 2017
DOI: 10.1002/wcms.1353
Schottky barrier height and band alignment of 2D lateral metal/semiconductor and semiconductor/semiconductor heterostructures.
Abstract Full article on Wiley Online Library:   HTML | PDF
State‐to‐state photodissociation dynamics of the water molecule
Published Online: Nov 17 2017
DOI: 10.1002/wcms.1350
We review the latest developments on the state‐to‐state photodissociation dynamics of the water molecule via the lowest two excited states, focusing on the absorption spectrum and product state distributions.
Abstract Full article on Wiley Online Library:   HTML | PDF
The sensing mechanism studies of the fluorescent probes with electronically excited state calculations
Published Online: Nov 17 2017
DOI: 10.1002/wcms.1351
Sensing mechanisms for fluorescent probes that respond to target species can be obtained by excited‐state calculations.
Abstract Full article on Wiley Online Library:   HTML | PDF
Methods for exploring reaction space in molecular systems
Published Online: Nov 16 2017
DOI: 10.1002/wcms.1354
Exploring reaction space.
Abstract Full article on Wiley Online Library:   HTML | PDF
Water models for biomolecular simulations
Published Online: Nov 13 2017
DOI: 10.1002/wcms.1347
Water models are indispensable in bimolecular simulations.
Abstract Full article on Wiley Online Library:   HTML | PDF

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