OOIR: Observatory of International Research

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 2022-05-01 to 2026-05-01.)

Article	Citations
	508
Issue Information	218
Quantitative analysis of high‐throughput biological data	171
Time‐dependent coupled‐cluster theory	58
Recent advances in deep learning for retrosynthesis	55
Two decades of Martini: Better beads, broader scope	52
Theoretical Studies of Molecular Reactions at the Air–Water Interface: Recent Progress and Perspective	51
Small molecule superposition: A comprehensive overview on pose scoring of the latest methods	50
Cover Image, Volume 12, Issue 5	50
Issue Information	49
Correction to “ ByteQC : GPU ‐Accelerated Quantum Chemistry Package for Large‐Scale Systems”	44
UniversalQM/MMapproaches for general nanoscale applications	43
Computational methods for unlocking the secrets of potassium channels: Structure, mechanism, and drug design	42
Computation of Time‐Resolved Nonlinear Electronic Spectra From Classical Trajectories	42
	40
Advanced quantum and semiclassical methods for simulating photoinduced molecular dynamics and spectroscopy	39
Building Nucleosome Positioning Maps: Discovering Hidden Gems	37
	36
A promising intersection of excited‐state‐specific methods from quantum chemistry and quantum Monte Carlo	34
Enhanced sampling strategies for molecular simulation of DNA	33
Pre‐exascale HPC approaches for molecular dynamics simulations. Covid‐19 research: A use case	32
Graph neural networks for conditional de novo drug design	32
From Perception to Prediction and Interpretation: Enlightening the Gray Zone of Molecular Bricks of Life With the Help of Machine Learning and Quantum Chemistry	31
Condensed‐Phase Quantum Chemistry	30
	30

Cover Image, Volume 15, Issue 2	30
Issue Information	30
Enhancing GPU‐Acceleration in the Python‐Based Simulations of Chemistry Frameworks	29
Variational determination of the two‐electron reduced density matrix: A tutorial review	29
Application of computational approaches in biomembranes: From structure to function	29