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 2022-01-01 to 2026-01-01.)
ArticleCitations
3709
Issue Information289
Quantitative analysis of high‐throughput biological data252
Time‐dependent coupled‐cluster theory199
Recent advances in deep learning for retrosynthesis190
Theoretical Studies of Molecular Reactions at the Air–Water Interface: Recent Progress and Perspective189
Two decades of Martini: Better beads, broader scope149
Cover Image, Volume 12, Issue 5121
Issue Information77
Small molecule superposition: A comprehensive overview on pose scoring of the latest methods76
Using machine‐learning‐driven approaches to boost hot‐spot's knowledge62
Cover Image, Volume 12, Issue 161
Correction to “ ByteQC : GPU ‐Accelerated Quantum Chemistry Package for Large‐Scale Systems”58
UniversalQM/MMapproaches for general nanoscale applications46
Computation of Time‐Resolved Nonlinear Electronic Spectra From Classical Trajectories43
43
Building Nucleosome Positioning Maps: Discovering Hidden Gems40
Advanced quantum and semiclassical methods for simulating photoinduced molecular dynamics and spectroscopy40
Computational methods for unlocking the secrets of potassium channels: Structure, mechanism, and drug design38
38
38
Graph neural networks for conditional de novo drug design37
Enhanced sampling strategies for molecular simulation of DNA36
35
A promising intersection of excited‐state‐specific methods from quantum chemistry and quantum Monte Carlo35
Cover Image, Volume 15, Issue 233
Issue Information33
Machine learning solutions for predicting protein–protein interactions32
Application of computational approaches in biomembranes: From structure to function31
Condensed‐Phase Quantum Chemistry30
Pre‐exascale HPC approaches for molecular dynamics simulations. Covid‐19 research: A use case30
Enhancing GPU‐Acceleration in the Python‐Based Simulations of Chemistry Frameworks30
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