OOIR: Observatory of International Research

Papers

(The H4-Index of Wiley Interdisciplinary Reviews-Computational Molecular Science is 31. 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 2021-12-01 to 2025-12-01.)

Article	Citations
	3567
Issue Information	280
Quantitative analysis of high‐throughput biological data	245
Time‐dependent coupled‐cluster theory	193
Theoretical Studies of Molecular Reactions at the Air–Water Interface: Recent Progress and Perspective	181
Recent advances in deep learning for retrosynthesis	142
Two decades of Martini: Better beads, broader scope	131
Cover Image, Volume 12, Issue 5	114
Issue Information	106
Using machine‐learning‐driven approaches to boost hot‐spot's knowledge	73
Small molecule superposition: A comprehensive overview on pose scoring of the latest methods	73
Computation of Time‐Resolved Nonlinear Electronic Spectra From Classical Trajectories	61
Cover Image, Volume 12, Issue 1	59
Correction to “ ByteQC : GPU ‐Accelerated Quantum Chemistry Package for Large‐Scale Systems”	58
UniversalQM/MMapproaches for general nanoscale applications	51
	45
Computational methods for unlocking the secrets of potassium channels: Structure, mechanism, and drug design	43
Advanced quantum and semiclassical methods for simulating photoinduced molecular dynamics and spectroscopy	41
Building Nucleosome Positioning Maps: Discovering Hidden Gems	41
	39
	38
Enhanced sampling strategies for molecular simulation of DNA	38
A promising intersection of excited‐state‐specific methods from quantum chemistry and quantum Monte Carlo	36
Graph neural networks for conditional de novo drug design	34
	34

Pre‐exascale HPC approaches for molecular dynamics simulations. Covid‐19 research: A use case	34
Issue Information	33
Cover Image, Volume 15, Issue 2	33
Condensed‐Phase Quantum Chemistry	32
Enhancing GPU‐Acceleration in the Python‐Based Simulations of Chemistry Frameworks	31
Machine learning solutions for predicting protein–protein interactions	31