Justin MacCallum

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D. Peter TielemanCanada Research Chair in Molecular Simulation, University of CalgaryPreverjeni e-poštni naslov na ucalgary.ca
Ken A. DillDirector of Laufer Center, Stony Brook UniversityPreverjeni e-poštni naslov na laufercenter.org
Alberto PerezUniversity of Florida, Department of ChemistryPreverjeni e-poštni naslov na chem.ufl.edu
W.F. Drew BennettLawrence Livermore National LabPreverjeni e-poštni naslov na llnl.gov
Luca MonticelliResearch Director at CNRSPreverjeni e-poštni naslov na inserm.fr
Emiliano BriniSchool of Chemistry and Material Science - RITPreverjeni e-poštni naslov na rit.edu
Michael J. SchniedersProfessor of Biomedical Engineering and Biochemistry, The University of IowaPreverjeni e-poštni naslov na uiowa.edu
Matthew JacobsonUCSFPreverjeni e-poštni naslov na ucsf.edu
Siewert J. MarrinkProfessor of Molecular Dynamics, University of GroningenPreverjeni e-poštni naslov na rug.nl
Joseph A. MorroneIBM T.J. Watson Research CenterPreverjeni e-poštni naslov na us.ibm.com
Steve PresseASUPreverjeni e-poštni naslov na asu.edu
Vijay PandeAndreessen Horowitz, Stanford UniversityPreverjeni e-poštni naslov na stanford.edu
Carlos Jose BustamanteUniversity of California, BerkeleyPreverjeni e-poštni naslov na alice.berkeley.edu
Carlos SimmerlingMarsha Laufer Chair in Physical & Quantitative Biology, SUNY Stony BrookPreverjeni e-poštni naslov na stonybrook.edu
Arijit RoyTCS Research, HyderabadPreverjeni e-poštni naslov na tcs.com
Zheng Yang, Ph.D.Mira, Quanovate Tech Inc.Preverjeni e-poštni naslov na quanovate.com
Ivet BaharDirector, Laufer Center for Physical & Quantitative Biology, Stony Brook UniversityPreverjeni e-poštni naslov na pitt.edu
koushik kasavajhalaSenior Scientist II, SchrödingerPreverjeni e-poštni naslov na schrodinger.com
Evangelos CoutsiasDepartment of Applied Mathematics and Statistics, Stony Brook UniversityPreverjeni e-poštni naslov na stonybrook.edu

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Justin MacCallum

Department of Chemistry, University of Calgary

Preverjeni e-poštni naslov na ucalgary.ca - Domača stran

Integrative structural biology protein-protein interactions protein design


Naslov Razvrsti po navedbah Razvrsti po letniku Razvrsti po naslovu	Navedeno Navedeno	Leto
The protein-folding problem, 50 years on KA Dill, JL MacCallum science 338 (6110), 1042-1046, 2012	1925	2012
Distribution of amino acids in a lipid bilayer from computer simulations JL MacCallum, WFD Bennett, DP Tieleman Biophysical journal 94 (9), 3393-3404, 2008	607	2008
Molecular view of cholesterol flip-flop and chemical potential in different membrane environments WFD Bennett, JL MacCallum, MJ Hinner, SJ Marrink, DP Tieleman Journal of the American Chemical Society 131 (35), 12714-12720, 2009	340	2009
Partitioning of amino acid side chains into lipid bilayers: results from computer simulations and comparison to experiment JL MacCallum, WFD Bennett, DP Tieleman The Journal of general physiology 129 (5), 371-377, 2007	307	2007
Membrane protein simulations with a united-atom lipid and all-atom protein model: lipid–protein interactions, side chain transfer free energies and model proteins DP Tieleman, JL MacCallum, WL Ash, C Kandt, Z Xu, L Monticelli Journal of Physics: Condensed Matter 18 (28), S1221, 2006	236	2006
Thermodynamic analysis of the effect of cholesterol on dipalmitoylphosphatidylcholine lipid membranes WFD Bennett, JL MacCallum, DP Tieleman Journal of the American Chemical Society 131 (5), 1972-1978, 2009	195	2009
Computer simulation of the distribution of hexane in a lipid bilayer: spatially resolved free energy, entropy, and enthalpy profiles JL MacCallum, DP Tieleman Journal of the American Chemical Society 128 (1), 125-130, 2006	173	2006
Determining protein structures by combining semireliable data with atomistic physical models by Bayesian inference JL MacCallum, A Perez, KA Dill Proceedings of the National Academy of Sciences 112 (22), 6985-6990, 2015	162	2015
Structures of neat and hydrated 1-octanol from computer simulations JL MacCallum, DP Tieleman Journal of the American Chemical Society 124 (50), 15085-15093, 2002	150	2002
Molecular dynamics simulations of pentapeptides at interfaces: salt bridge and cation− π interactions MP Aliste, JL MacCallum, DP Tieleman Biochemistry 42 (30), 8976-8987, 2003	145	2003
Calculation of the water–cyclohexane transfer free energies of neutral amino acid side‐chain analogs using the OPLS all‐atom force field JL MacCallum, DP Tieleman Journal of computational chemistry 24 (15), 1930-1935, 2003	126	2003
Assessment of protein structure refinement in CASP9 JL MacCallum, A Pérez, MJ Schnieders, L Hua, MP Jacobson, KA Dill Proteins: Structure, Function, and Bioinformatics 79 (S10), 74-90, 2011	118	2011
Accelerating molecular simulations of proteins using Bayesian inference on weak information A Perez, JL MacCallum, KA Dill Proceedings of the National Academy of Sciences 112 (38), 11846-11851, 2015	116	2015
Hydrophobicity scales: a thermodynamic looking glass into lipid–protein interactions JL MacCallum, DP Tieleman Trends in biochemical sciences 36 (12), 653-662, 2011	111	2011
Transfer of arginine into lipid bilayers is nonadditive JL MacCallum, WFD Bennett, DP Tieleman Biophysical journal 101 (1), 110-117, 2011	109	2011
Hydrophobic association of α-helices, steric dewetting, and enthalpic barriers to protein folding JL MacCallum, MS Moghaddam, HS Chan, DP Tieleman Proceedings of the National Academy of Sciences 104 (15), 6206-6210, 2007	98	2007
From inhibition to degradation: targeting the antiapoptotic protein myeloid cell leukemia 1 (MCL1) JW Papatzimas, E Gorobets, R Maity, MI Muniyat, JL MacCallum, P Neri, ... Journal of medicinal chemistry 62 (11), 5522-5540, 2019	97	2019
Assessment of the protein‐structure refinement category in CASP8 JL MacCallum, L Hua, MJ Schnieders, VS Pande, MP Jacobson, KA Dill Proteins: Structure, Function, and Bioinformatics 77 (S9), 66-80, 2009	83	2009
Grid-based backbone correction to the ff12SB protein force field for implicit-solvent simulations A Perez, JL MacCallum, E Brini, C Simmerling, KA Dill Journal of chemical theory and computation 11 (10), 4770-4779, 2015	80	2015
Blind protein structure prediction using accelerated free-energy simulations A Perez, JA Morrone, E Brini, JL MacCallum, KA Dill Science advances 2 (11), e1601274, 2016	71	2016

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