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Communications Physics|October 13, 2025
Accurate quantum-centric simulations of intermolecular interactionsDanil Kaliakin, Akhil Shajan, Fangchun Liang, et al.ACS Nano|December 28, 2021
Enhanced Photoacoustic Detection of Heparin in Whole Blood via Melanin Nanocapsules Carrying Molecular AgentsWonjun Yim, Kathryn Takemura, Jiajing Zhou, et al.Journal of Chemical Information and Modeling|March 9, 2026
Automated Force Field Developer and Optimizer Platform: Torsion ReparameterizationAlejandro Blanco-Gonzalez, William Betancourt, Ryan Michael Snyder, et al.Biochemistry|December 25, 2014
A conservative isoleucine to leucine mutation causes major rearrangements and cold sensitivity in KlenTaq1 DNA polymeraseEugene Y Wu, Amanda R Walsh, Emma C Materne, et al.Nature Communications|July 2, 2025
Cooperative and inhibitory ion transport in functionalized angstrom-scale two-dimensional channelsMingzhan Wang, Qinsi Xiong, Xiaolin Yue, et al.Journal of Biomolecular Structure & Dynamics|December 18, 2023
Computational drug discovery of an inhibitor of APOBEC3B as a treatment for epithelial cancersDominic A Caputa, Quin P Blankenship, Zachary D Smith, et al.Chemical Reviews|May 12, 2021
Quantum Chemistry Calculations for MetabolomicsRicardo M Borges, Sean M Colby, Susanta Das, et al.Chemical Society Reviews|July 2, 2021
A critical overview of computational approaches employed for COVID-19 drug discoveryEugene N Muratov, Rommie Amaro, Carolina H Andrade, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|March 1, 2018
Quantum Crystallography: Current Developments and Future PerspectivesAlessandro Genoni, Lukas Bučinský, Nicolas Claiser, et al.European Journal of Medicinal Chemistry|June 19, 2015
Thiosemicarbazones as Aedes aegypti larvicidalJoão Bosco P da Silva, Daniela Maria do A F Navarro, Aluizio G da Silva, et al.Pageof 37