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Journal of Chemical Information and Modeling|April 9, 2013
Development of the knowledge-based and empirical combined scoring algorithm (KECSA) to score protein-ligand interactionsZheng Zheng, Kenneth M MerzJournal of the American Society for Mass Spectrometry|February 10, 2025
In Silico Characterization of Glycan Ions from IM-MS Collision Cross SectionMithony Keng, Kenneth M MerzJournal of the American Chemical Society|April 14, 2005
Validation of the binding site structure of the cellular retinol-binding protein (CRBP) by ligand NMR chemical shift perturbationsBing Wang, Kenneth M MerzBiochemistry|October 9, 2007
Computational studies of the farnesyltransferase ternary complex part II: the conformational activation of farnesyldiphosphateGuanglei Cui, Kenneth M MerzJournal of Medicinal Chemistry|July 8, 2005
Large-scale validation of a quantum mechanics based scoring function: predicting the binding affinity and the binding mode of a diverse set of protein-ligand complexesKaushik Raha, Kenneth M MerzChemical Reviews|January 4, 2017
Metal Ion Modeling Using Classical MechanicsPengfei Li, Kenneth M MerzMethods in Molecular Biology (Clifton, N.J.)|October 30, 2020
Parameterization of a Dioxygen Binding Metal Site Using the MCPB.py ProgramPengfei Li, Kenneth M MerzPhysical Chemistry Chemical Physics : PCCP|March 26, 2010
Importance of loop dynamics in the neocarzinostatin chromophore binding and release mechanismsBing Wang, Kenneth M MerzJournal of Chemical Information and Modeling|November 5, 2025
PEAS: An Application for Autonomous Precision Conformation SamplingMithony Keng, Kenneth M MerzJournal of Chemical Theory and Computation|February 17, 2025
Integrating Machine Learning and Quantum Circuits for Proton Affinity PredictionsHongni Jin, Kenneth M MerzPageof 740