Jeffry Setiadi

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Serdar KuyucakUniversity of SydneyVerified email at sydney.edu.au
Matthew ArnoldUniversity of Technology SydneyVerified email at uts.edu.au
David MobleyProfessor, University of California, IrvineVerified email at uci.edu
Yunhui GeAlkermesVerified email at alkermes.com
Germano HeinzelmannUniversidade Federal de Santa CatarinaVerified email at ufsc.br
Shafagh WatersUNSWVerified email at unsw.edu.au
Miro AstoreThe University of SydneyVerified email at uni.sydney.edu.au
renee whanUniversity of New south walesVerified email at unsw.edu.au
Keith Chee Y. OoiSchool of Women's and Children's Health, Medicine, University of New South WalesVerified email at unsw.edu.au
Mathias S. ScheurerProfessor of Physics, University of StuttgartVerified email at itp3.uni-stuttgart.de
Michael K GilsonUniversity of California San DiegoVerified email at health.ucsd.edu
David L. DotsonDatryllic LLCVerified email at datryllic.com
David SlochowerVertex PharmaceuticalsVerified email at ucsd.edu
Simon BoothroydPsivant TherapeuticsVerified email at psivant.com
Felipe S. S. SchneiderCellertz BioVerified email at posgrad.ufsc.br

Jeffry Setiadi

University of California San Diego

Verified email at ucsd.edu - Homepage

computational biophysics/chemistry molecular dynamics free energy methods protein-ligand binding host-guest binding


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Li-ion adsorption and diffusion on two-dimensional silicon with defects: a first principles study J Setiadi, MD Arnold, MJ Ford ACS applied materials & interfaces 5 (21), 10690-10695, 2013	76	2013
An overview of the SAMPL8 host–guest binding challenge M Amezcua, J Setiadi, Y Ge, DL Mobley Journal of computer-aided molecular design 36 (10), 707-734, 2022	27	2022
Molecular dynamics and theratyping in airway and gut organoids reveal R352Q-CFTR conductance defect SL Wong, NT Awatade, MA Astore, KM Allan, MJ Carnell, I Slapetova, ... American Journal of Respiratory Cell and Molecular Biology 67 (1), 99-111, 2022	13	2022
Damping of plasmons of closely coupled sphere chains due to disordered gaps MS Scheurer, MD Arnold, J Setiadi, MJ Ford The Journal of Physical Chemistry C 116 (1), 1335-1343, 2012	12	2012
Computational studies of glutamate transporters J Setiadi, G Heinzelmann, S Kuyucak Biomolecules 5 (4), 3067-3086, 2015	9	2015
Elucidation of the role of a conserved methionine in glutamate transporters and its implication for force fields J Setiadi, S Kuyucak The Journal of Physical Chemistry B 121 (41), 9526-9531, 2017	7	2017
Free-energy simulations resolve the low-affinity Na+-high-affinity asp binding paradox in GltPh J Setiadi, S Kuyucak Biophysical Journal 117 (4), 780-789, 2019	4	2019
Computational investigation of the effect of lipid membranes on ion permeation in Gramicidin A J Setiadi, S Kuyucak Membranes 6 (1), 20, 2016	4	2016
A simple, parameter-free method for computing solvation free energies of ions J Setiadi, S Kuyucak The Journal of Chemical Physics 150 (6), 2019	3	2019
Tuning Potential Functions to Host–Guest Binding Data J Setiadi, S Boothroyd, DR Slochower, DL Dotson, MW Thompson, ... Journal of Chemical Theory and Computation 20 (1), 239-252, 2023	2	2023
A theoretical investigation on the aminolysis of pyromellitic and 1, 4, 5, 8-naphthalenetetracarboxylic dianhydrides FSS Schneider, J Setiadi, MI Felisberti, PAM Vazquez, TF da Conceicao, ... Computational and Theoretical Chemistry 1147, 13-19, 2019	1	2019
The SAMPL9 host-guest blind challenge: an overview of binding free energy predictive accuracy M Amezcua, J Setiadi, DL Mobley Physical Chemistry Chemical Physics, 2024		2024
The temperature-dependence of host–guest binding thermodynamics: experimental and simulation studies LM Grimm, J Setiadi, B Tkachenko, PR Schreiner, MK Gilson, ... Chemical Science 14 (42), 11818-11829, 2023		2023
Free Energy Molecular Dynamics Simulations of Glutamate Transporters J Setiadi		2019

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