Systematic Parameterization of Monovalent Ions Employing the Nonbonded Model
Li, Pengfei, Song, Lin Frank, Merz, Kenneth M
Published in Journal of chemical theory and computation (14.04.2015)
Published in Journal of chemical theory and computation (14.04.2015)
Get full text
Journal Article
Evolution of Alchemical Free Energy Methods in Drug Discovery
Song, Lin Frank, Merz, Kenneth M
Published in Journal of chemical information and modeling (23.11.2020)
Published in Journal of chemical information and modeling (23.11.2020)
Get full text
Journal Article
Quantum Crystallography: Current Developments and Future Perspectives
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
Published in Chemistry : a European journal (01.08.2018)
Published in Chemistry : a European journal (01.08.2018)
Get full text
Journal Article
Modeling Zinc Complexes Using Neural Networks
Jin, Hongni, Merz, Kenneth M.
Published in Journal of chemical information and modeling (22.04.2024)
Published in Journal of chemical information and modeling (22.04.2024)
Get full text
Journal Article
Thermodynamics of Transition Metal Ion Binding to Proteins
Song, Lin Frank, Sengupta, Arkajyoti, Merz, Kenneth M
Published in Journal of the American Chemical Society (01.04.2020)
Published in Journal of the American Chemical Society (01.04.2020)
Get full text
Journal Article
Using AMBER18 for Relative Free Energy Calculations
Song, Lin Frank, Lee, Tai-Sung, Zhu, Chun, York, Darrin M, Merz, Kenneth M
Published in Journal of chemical information and modeling (22.07.2019)
Published in Journal of chemical information and modeling (22.07.2019)
Get full text
Journal Article
Editorial: Cutting-Edge Methodologies in Omics Data Analysis
Merz, Kenneth M., Wei, Guowei, Zhu, Feng
Published in Journal of chemical information and modeling (08.07.2024)
Published in Journal of chemical information and modeling (08.07.2024)
Get full text
Journal Article
Molecular Gas-Phase Conformational Ensembles
Das, Susanta, Merz, Kenneth M.
Published in Journal of chemical information and modeling (12.02.2024)
Published in Journal of chemical information and modeling (12.02.2024)
Get full text
Journal Article