Wiley Interdisciplinary Reviews-Computational Molecular Science

Papers
(The H4-Index of Wiley Interdisciplinary Reviews-Computational Molecular Science is 30. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-06-01 to 2025-06-01.)
ArticleCitations
2625
Issue Information195
Quantum mechanical/molecular mechanical studies of photophysical properties of fluorescent proteins168
Understanding familial Alzheimer's disease: The fit‐stay‐trim mechanism of γ‐secretase154
Moving in the mesoscale: Understanding the mechanics of cytoskeletal molecular motors by combining mesoscale simulations with imaging139
Quantitative analysis of high‐throughput biological data103
Time‐dependent coupled‐cluster theory95
91
Range‐separated multiconfigurational density functional theory methods88
Theoretical Studies of Molecular Reactions at the Air–Water Interface: Recent Progress and Perspective74
Recent advances in deep learning for retrosynthesis65
Two decades of Martini: Better beads, broader scope64
Issue Information56
Cover Image, Volume 12, Issue 556
Small molecule superposition: A comprehensive overview on pose scoring of the latest methods53
Using machine‐learning‐driven approaches to boost hot‐spot's knowledge52
Computational studies of protein–drug binding affinity changes upon mutations in the drug target49
Cover Image, Volume 12, Issue 145
UniversalQM/MMapproaches for general nanoscale applications44
Computation of Time‐Resolved Nonlinear Electronic Spectra From Classical Trajectories41
Issue Information40
37
Computational methods for unlocking the secrets of potassium channels: Structure, mechanism, and drug design37
The repetitive local sampling and the local distribution theory37
Advanced quantum and semiclassical methods for simulating photoinduced molecular dynamics and spectroscopy35
Building Nucleosome Positioning Maps: Discovering Hidden Gems35
Superconducting ternary hydrides under high pressure34
Deciphering the mechanical properties of B‐DNA duplex34
34
A promising intersection of excited‐state‐specific methods from quantum chemistry and quantum Monte Carlo32
Enhanced sampling strategies for molecular simulation of DNA30
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