OOIR: Observatory of International Research

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 2022-08-01 to 2026-08-01.)

Article	Citations
	857
Quantitative analysis of high‐throughput biological data	64
Time‐dependent coupled‐cluster theory	64
Issue Information	64
Theoretical Studies of Molecular Reactions at the Air–Water Interface: Recent Progress and Perspective	57
Recent advances in deep learning for retrosynthesis	57
Cover Image, Volume 12, Issue 5	56
Small molecule superposition: A comprehensive overview on pose scoring of the latest methods	53
Issue Information	53
Mixed Quantum–Classical Dynamics for Molecular Excited States: Reliability, Scalability, and Representation	48
Correction to “ ByteQC : GPU ‐Accelerated Quantum Chemistry Package for Large‐Scale Systems”	45
Computation of Time‐Resolved Nonlinear Electronic Spectra From Classical Trajectories	44
UniversalQM/MMapproaches for general nanoscale applications	42
	40
Computational methods for unlocking the secrets of potassium channels: Structure, mechanism, and drug design	39
Building Nucleosome Positioning Maps: Discovering Hidden Gems	37
	37
Advanced quantum and semiclassical methods for simulating photoinduced molecular dynamics and spectroscopy	37
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	36
Enhanced sampling strategies for molecular simulation of DNA	36
Issue Information	35
	35
Cover Image, Volume 15, Issue 2	34
Condensed‐Phase Quantum Chemistry	34

Application of computational approaches in biomembranes: From structure to function	33
From Perception to Prediction and Interpretation: Enlightening the Gray Zone of Molecular Bricks of Life With the Help of Machine Learning and Quantum Chemistry	32
Enhancing GPU‐Acceleration in the Python‐Based Simulations of Chemistry Frameworks	32
The kth nearest neighbor method for estimation of entropy changes from molecular ensembles	31
Variational determination of the two‐electron reduced density matrix: A tutorial review	31
AQME: Automated quantum mechanical environments for researchers and educators	30
Issue Information	30