OOIR: Observatory of International Research

Papers

(The H4-Index of Wiley Interdisciplinary Reviews-Computational Molecular Science is 32. 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 2021-05-01 to 2025-05-01.)

Article	Citations
Quantitative analysis of high‐throughput biological data	2473
Quantum mechanical/molecular mechanical studies of photophysical properties of fluorescent proteins	187
	163
Issue Information	149
Moving in the mesoscale: Understanding the mechanics of cytoskeletal molecular motors by combining mesoscale simulations with imaging	135
Time‐dependent coupled‐cluster theory	101
Understanding familial Alzheimer's disease: The fit‐stay‐trim mechanism of γ‐secretase	90
The ezSpectra suite: An easy‐to‐use toolkit for spectroscopy modeling	89
	87
Range‐separated multiconfigurational density functional theory methods	85
Two decades of Martini: Better beads, broader scope	83
Dimensionality effects in high‐performance thermoelectric materials: Computational and experimental progress in energy harvesting applications	70
Recent advances in deep learning for retrosynthesis	64
Issue Information	61
Small molecule superposition: A comprehensive overview on pose scoring of the latest methods	60
Cover Image, Volume 12, Issue 5	55
Using machine‐learning‐driven approaches to boost hot‐spot's knowledge	53
Computational studies of protein–drug binding affinity changes upon mutations in the drug target	49
Cover Image, Volume 12, Issue 1	49
UniversalQM/MMapproaches for general nanoscale applications	47
Deciphering the mechanical properties of B‐DNA duplex	42
Advanced quantum and semiclassical methods for simulating photoinduced molecular dynamics and spectroscopy	41
	41
Issue Information	41
Superconducting ternary hydrides under high pressure	38

Computational methods for unlocking the secrets of potassium channels: Structure, mechanism, and drug design	37
The repetitive local sampling and the local distribution theory	36
Understanding flavin electronic structure and spectra	36
	34
A promising intersection of excited‐state‐specific methods from quantum chemistry and quantum Monte Carlo	32
Issue Information	32
Enhanced sampling strategies for molecular simulation of DNA	32
Graph neural networks for conditional de novo drug design	32