Metal Ion Modeling Using Classical Mechanics von Li, Pengfei

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Parameterization of Highly Charged Metal Ions Using the 12-6‑4 LJ-Type Nonbonded Model in Explicit Water von Li, Pengfei, Song, Lin Frank, Merz, Kenneth M

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Parameterization of Monovalent Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models von Sengupta, Arkajyoti, Li, Zhen, Song, Lin Frank, Li, Pengfei, Merz, Kenneth M

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Systematic Parametrization of Divalent Metal Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models von Li, Zhen, Song, Lin Frank, Li, Pengfei, Merz, Kenneth M

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MCPB.py: A Python Based Metal Center Parameter Builder von Li, Pengfei, Merz, Kenneth M

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Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent von Li, Pengfei, Roberts, Benjamin P, Chakravorty, Dhruva K, Merz, Kenneth M

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Quantum Crystallography: Current Developments and Future Perspectives von Genoni, Alessandro, Bučinský, Lukas, Claiser, Nicolas, Contreras‐García, Julia, Dittrich, Birger, Dominiak, Paulina M., Espinosa, Enrique, Gatti, Carlo, Giannozzi, Paolo, Gillet, Jean‐Michel, Jayatilaka, Dylan, Macchi, Piero, Madsen, Anders Ø., Massa, Lou, Matta, Chérif F., Merz, Kenneth M., Nakashima, Philip N. H., Ott, Holger, Ryde, Ulf, Schwarz, Karlheinz, Sierka, Marek, Grabowsky, Simon

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LigandDiff: de Novo Ligand Design for 3D Transition Metal Complexes with Diffusion Models von Jin, Hongni, Merz, Kenneth M.

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Modeling Zinc Complexes Using Neural Networks von Jin, Hongni, Merz, Kenneth M.

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Modeling Fe(II) Complexes Using Neural Networks von Jin, Hongni, Merz, Kenneth M.

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Systematic Parameterization of Monovalent Ions Employing the Nonbonded Model von Li, Pengfei, Song, Lin Frank, Merz, Kenneth M

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Partial to Total Generation of 3D Transition-Metal Complexes von Jin, Hongni, Merz, Kenneth M.

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In Memoriam: Dr. George W. A. Milne von Merz, Kenneth M.

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Molecular insights into substrate translocation in an elevator-type metal transporter von Zhang, Yao, Jafari, Majid, Zhang, Tuo, Sui, Dexin, Sagresti, Luca, Merz, Kenneth M., Hu, Jian

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Evolution of Alchemical Free Energy Methods in Drug Discovery von Song, Lin Frank, Merz, Kenneth M

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Taking into Account the Ion-Induced Dipole Interaction in the Nonbonded Model of Ions von Li, Pengfei, Merz, Kenneth M

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The Amber biomolecular simulation programs von Case, David A., Cheatham III, Thomas E., Darden, Tom, Gohlke, Holger, Luo, Ray, Merz Jr, Kenneth M., Onufriev, Alexey, Simmerling, Carlos, Wang, Bing, Woods, Robert J.

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Using Quantum Mechanical Approaches to Study Biological Systems von Merz, Kenneth M

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Early prediction of circulatory failure in the intensive care unit using machine learning von Hyland, Stephanie L., Faltys, Martin, Hüser, Matthias, Lyu, Xinrui, Gumbsch, Thomas, Esteban, Cristóbal, Bock, Christian, Horn, Max, Moor, Michael, Rieck, Bastian, Zimmermann, Marc, Bodenham, Dean, Borgwardt, Karsten, Rätsch, Gunnar, Merz, Tobias M.

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The Ecstasy and Agony of Assay Interference Compounds von Aldrich, Courtney, Bertozzi, Carolyn, Georg, Gunda I, Kiessling, Laura, Lindsley, Craig, Liotta, Dennis, Merz, Jr, Kenneth M, Schepartz, Alanna, Wang, Shaomeng

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