Ido Ben‐Shalom

Amber 2021: Reference Manual

David A. Case, Hasan Metin Aktulga, Kellon Belfon et al. · Open Repository and Bibliography (University of Luxembourg) · 2021 · 171 citations

Data Management, Amber 2021, Standardization +1

Efficient Approximation of Ligand Rotational and Translational Entropy Changes upon Binding for Use in MM-PBSA Calculations

Ido Ben‐Shalom, Stefania Pfeiffer‐Marek, Karl‐Heinz Baringhaus et al. · Journal of Chemical Information and Modeling · 2016 · 57 citations

Simulating Water Exchange to Buried Binding Sites

Ido Ben‐Shalom, Charles Lin, Tom Kurtzman et al. · Journal of Chemical Theory and Computation · 2019 · 54 citations

Biophysical Modeling, Engineering, Hydrogeophysics +17

Native metabolomics identifies the rivulariapeptolide family of protease inhibitors

Raphael Reher, Allegra T. Aron, Pavla Fajtová et al. · Nature Communications · 2022 · 45 citations · Full text

Drug Target, Biological Mass Spectrometry, Metabolomic Profiling +16

Accounting for the Central Role of Interfacial Water in Protein–Ligand Binding Free Energy Calculations

Ido Ben‐Shalom, Zhixiong Lin, Brian K. Radak et al. · Journal of Chemical Theory and Computation · 2020 · 44 citations · Full text

Engineering, Interfacial Water, Computational Chemistry +18