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Journal of Chemical Information and Modeling|September 9, 2022
Analysis of the Fragmentation Pathways for the Collision-Induced Dissociation of Protonated Cyclophosphamide: A Mass Spectrometry and Quantum Mechanical StudyMohamed Korany, Ida Ritacco, Eslam Dabbish, et al.Journal of Chemical Information and Modeling|January 10, 2022
Protein Interaction Network Reconstruction with a Structural Gated Attention Deep Model by Incorporating Network Structure InformationFei Zhu, Feifei Li, Lei Deng, et al.Journal of Chemical Information and Modeling|January 12, 2022
Benchmarking Molecular Feature Attribution Methods with Activity CliffsJosé Jiménez-Luna, Miha Skalic, Nils WeskampJournal of Chemical Information and Modeling|September 13, 2022
On the Choice of Active Site Sequences for Kinase-Ligand Affinity PredictionJannis Born, Yoel Shoshan, Tien Huynh, et al.Journal of Chemical Information and Modeling|September 13, 2022
A Robust Neural Network for Extracting Dynamics from Electrostatic Force Microscopy DataMadeleine D Breshears, Rajiv Giridharagopal, Justin Pothoof, et al.Journal of Chemical Information and Modeling|September 13, 2022
Local Normal Mode Analysis for Fast Loop Conformational SamplingJosé Ramón López-Blanco, Yves Dehouck, Ugo Bastolla, et al.Journal of Chemical Information and Modeling|August 29, 2022
Lipid Modulation of a Class B GPCR: Elucidating the Modulatory Role of PI(4,5)P2 LipidsLisbeth R Kjølbye, Lars Sørensen, Jun Yan, et al.Journal of Chemical Information and Modeling|January 21, 2022
A Workflow of Integrated Resources to Catalyze Network Pharmacology Driven COVID-19 ResearchGergely Zahoránszky-Kőhalmi, Vishal B Siramshetty, Praveen Kumar, et al.Journal of Chemical Information and Modeling|October 25, 2022
Free Energy Calculations Using the Movable Type Method with Molecular Dynamics Driven Protein-Ligand SamplingWenlang Liu, Zhenhao Liu, Hao Liu, et al.Journal of Chemical Information and Modeling|October 31, 2022
Representing Polymers as Periodic Graphs with Learned Descriptors for Accurate Polymer Property PredictionsEvan R Antoniuk, Peggy Li, Bhavya Kailkhura, et al.Pageof 909