Wiley Interdisciplinary Reviews-Computational Molecular Science

Papers
(The H4-Index of Wiley Interdisciplinary Reviews-Computational Molecular Science is 29. 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 2021-09-01 to 2025-09-01.)
ArticleCitations
3080
Issue Information239
Quantitative analysis of high‐throughput biological data206
Time‐dependent coupled‐cluster theory179
157
Two decades of Martini: Better beads, broader scope127
Theoretical Studies of Molecular Reactions at the Air–Water Interface: Recent Progress and Perspective101
Recent advances in deep learning for retrosynthesis96
Small molecule superposition: A comprehensive overview on pose scoring of the latest methods96
Issue Information66
Cover Image, Volume 12, Issue 566
Using machine‐learning‐driven approaches to boost hot‐spot's knowledge57
Issue Information55
UniversalQM/MMapproaches for general nanoscale applications53
Cover Image, Volume 12, Issue 148
Computation of Time‐Resolved Nonlinear Electronic Spectra From Classical Trajectories42
42
The repetitive local sampling and the local distribution theory41
Computational methods for unlocking the secrets of potassium channels: Structure, mechanism, and drug design39
Superconducting ternary hydrides under high pressure36
Building Nucleosome Positioning Maps: Discovering Hidden Gems34
Advanced quantum and semiclassical methods for simulating photoinduced molecular dynamics and spectroscopy34
Deciphering the mechanical properties of B‐DNA duplex33
Enhanced sampling strategies for molecular simulation of DNA31
31
A promising intersection of excited‐state‐specific methods from quantum chemistry and quantum Monte Carlo30
Enhancing GPU‐Acceleration in the Python‐Based Simulations of Chemistry Frameworks29
Graph neural networks for conditional de novo drug design29
The hierarchy of Davydov's Ansätze and its applications29
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