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Journal of the American Society for Mass Spectrometry|April 4, 2022
In Silico Collision Cross Section Calculations to Aid Metabolite AnnotationSusanta Das, Kiyoto Aramis Tanemura, Laleh Dinpazhoh, et al.
Research Square|April 1, 2025
Accurate quantum-centric simulations of supramolecular interactionsDanil Kaliakin, Akhil Shajan, Javier Robledo Moreno, et al.
Journal of Chemical Theory and Computation|March 25, 2014
Taking into Account the Ion-induced Dipole Interaction in the Nonbonded Model of IonsPengfei Li, Kenneth M Merz
Journal of the American Chemical Society|January 30, 2004
A quantum mechanics-based scoring function: study of zinc ion-mediated ligand bindingKaushik Raha, Kenneth M Merz
Journal of the American Chemical Society|June 4, 2004
The hydrolysis of urea and the proficiency of ureaseGuillermina Estiu, Kenneth M Merz
Journal of Chemical Information and Modeling|October 8, 2024
Eliminating the Deadwood: A Machine Learning Model for CCS Knowledge-Based Conformational Focusing for LipidsMithony Keng, Kenneth M Merz
Journal of Chemical Theory and Computation|September 9, 2024
Partial to Total Generation of 3D Transition-Metal ComplexesHongni Jin, Kenneth M Merz
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