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Education
Education
PhD Pharmaceutical and Medicinal Chemistry, Heinrich Heine University of Duesseldorf
MSc Medicinal Chemistry, The Hebrew University of Jerusalem
BSc Life Sciences, The Hebrew University of Jerusalem
Publications
Publications
Simulating water exchange to buried binding sites. IY Ben-Shalom, C Lin, T Kurtzman, RC Walker, MK Gilson. J Chem Theo Comput 15:2684, 2019, 10.1021/acs.jctc.8b01284
AMBER 2018. D.A. Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham, III, VWD Cruzeiro, TA Darden, RE Duke, D Ghoreishi, MK Gilson, H Gohlke, AW Goetz, D Greene, R Harris, N Homeyer, S Izadi, A Kovalenko, T Kurtzman, TS Lee, S LeGrand, P Li, C Lin, J Liu, T Luchko, R Luo, DJ Mermelstein, KM Merz, Y Miao, G Monard, C Nguyen, H Nguyen, I Omelyan, A Onufriev, F Pan, R Qi, DR Roe, A Roitberg, C Sagui, S Schott-Verdugo, J Shen, CL Simmerling, J Smith, R Salomon-Ferrer, J Swails, RC Walker, J Wang, H Wei, RM Wolf, X Wu, L Xiao, DM York and PA Kollman, 2018, University of California, San Francisco.
Rigidity theory-based approximation of vibrational entropy changes upon binding to biomolecules. H Gohlke, IY Ben-Shalom, H Kopitz, S Pfeiffer-Marek, KH Baringhaus. J Chem Theo Comput 13:1495, 2017, 10.1021/acs.jctc.7b00014
Efficient approximation of ligand rotational and translational entropy changes upon binding for use in MM-PBSA calculations. IY Ben-Shalom, S Pfeiffer-Marek, KH Baringhaus, H Gohlke. J Chem Inf Model 57:170, 2017, 10.1021/acs.jcim.6b00373
Google Scholar: https://scholar.google.com/citations?user=kQX4rsQAAAAJ&hl=en&oi=ao
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