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Justin MacCallum
Justin MacCallum
Department of Chemistry, University of Calgary
Bestätigte E-Mail-Adresse bei ucalgary.ca - Startseite
Titel
Zitiert von
Zitiert von
Jahr
The protein-folding problem, 50 years on
KA Dill, JL MacCallum
science 338 (6110), 1042-1046, 2012
19152012
Distribution of amino acids in a lipid bilayer from computer simulations
JL MacCallum, WFD Bennett, DP Tieleman
Biophysical journal 94 (9), 3393-3404, 2008
6072008
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
3302009
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
3052007
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
2352006
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
1932009
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
1722006
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
1632015
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
1502002
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
1462003
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
1232003
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
1172015
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
1162011
Hydrophobicity scales: a thermodynamic looking glass into lipid–protein interactions
JL MacCallum, DP Tieleman
Trends in biochemical sciences 36 (12), 653-662, 2011
1102011
Transfer of arginine into lipid bilayers is nonadditive
JL MacCallum, WFD Bennett, DP Tieleman
Biophysical journal 101 (1), 110-117, 2011
1092011
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
982007
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
972019
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
842009
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
802015
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
702016
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