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Hedieh Torabifard
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Modeling molecular interactions in water: From pairwise to many-body potential energy functions
GA Cisneros, KT Wikfeldt, L Ojamäe, J Lu, Y Xu, H Torabifard, AP Bartók, ...
Chemical reviews 116 (13), 7501-7528, 2016
4022016
Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields
L Lagardčre, LH Jolly, F Lipparini, F Aviat, B Stamm, ZF Jing, M Harger, ...
Chemical science 9 (4), 956-972, 2018
2002018
Mutations along a TET2 active site scaffold stall oxidation at 5-hydroxymethylcytosine
MY Liu, H Torabifard, DJ Crawford, JE DeNizio, XJ Cao, BA Garcia, ...
Nature chemical biology 13 (2), 181-187, 2017
722017
Development of AMOEBA force field for 1, 3-dimethylimidazolium based ionic liquids
ON Starovoytov, H Torabifard, GA Cisneros
The Journal of Physical Chemistry B 118 (25), 7156-7166, 2014
532014
The impact of inflammation-induced tumor plasticity during myeloid transformation
A Yeaton, G Cayanan, S Loghavi, I Dolgalev, EM Leddin, CE Loo, ...
Cancer discovery 12 (10), 2392-2413, 2022
352022
Computational investigation of O 2 diffusion through an intra-molecular tunnel in AlkB; influence of polarization on O 2 transport
H Torabifard, GA Cisneros
Chemical science 8 (9), 6230-6238, 2017
292017
Insight into wild-type and T1372E TET2-mediated 5hmC oxidation using ab initio QM/MM calculations
H Torabifard, GA Cisneros
Chemical science 9 (44), 8433-8445, 2018
282018
Development of an AMOEBA water model using GEM distributed multipoles
H Torabifard, ON Starovoytov, P Ren, GA Cisneros
Theoretical Chemistry Accounts 134 (8), 101, 2015
262015
Computational and experimental characterization of a pyrrolidinium-based ionic liquid for electrolyte applications
H Torabifard, L Reed, MT Berry, JE Hein, E Menke, GA Cisneros
The Journal of Chemical Physics 147 (16), 2017
242017
M2 amphipathic helices facilitate pH-dependent conformational transition in influenza A virus
H Torabifard, A Panahi, CL Brooks III
Proceedings of the National Academy of Sciences 117 (7), 3583-3591, 2020
232020
Mechanisms and kinetics of thiotepa and tepa hydrolysis: DFT study
H Torabifard, A Fattahi
Journal of molecular modeling 18, 3563-3576, 2012
122012
DFT study on Thiotepa and Tepa interactions with their DNA receptor
H Torabifard, A Fattahi
Structural Chemistry 24, 1-11, 2013
112013
Uncovering the Mechanism of the Proton-Coupled Fluoride Transport in the CLCF Antiporter
KR Mills, H Torabifard
Journal of Chemical Information and Modeling 63 (8), 2445-2455, 2023
32023
Thermochemical properties of some vinyl chloride-induced DNA lesions: detailed view from NBO & AIM analysis
Z Aliakbar Tehrani, H Torabifard, A Fattahi
Structural Chemistry 23, 1987-2001, 2012
32012
Histone tail electrostatics modulate E2–E3 enzyme dynamics: a gateway to regulate ubiquitination machinery
DTS Ranathunga, H Torabifard
Physical Chemistry Chemical Physics 25 (4), 3361-3374, 2023
22023
Biophysical and in silico characterization of NrtA: a protein-based host for aqueous nitrate and nitrite recognition
K Ji, K Baek, W Peng, KA Alberto, H Torabifard, SO Nielsen, SC Dodani
Chemical Communications 58 (7), 965-968, 2022
22022
Computational approaches to investigate fluoride binding, selectivity and transport across the membrane
KR Mills, H Torabifard
Academic Press, 2024
2024
Histone H3 Orchestrates the Ubiquitination of Nucleosomal H2A by BRCA1/BARD1-UbcH5c Complex
AR Goldman, T Shah, H Torabifard
bioRxiv, 2024.04. 09.588726, 2024
2024
Allosteric Modulation of YAP/TAZ-TEAD Interaction by Palmitoylation and Small Molecule Inhibitors
K Mills, J Misra, H Torabifard
bioRxiv, 2023.10. 24.563887, 2023
2023
Exploring the Role of Interfacial Cation in F Ion Channel using MD Simulation: Application of Computational Chemistry
A Chezhian, Z Momin, H Torabifard
2021
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