Justin MacCallum

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	Wszystkie	Od 2020
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D. Peter TielemanCanada Research Chair in Molecular Simulation, University of CalgaryZweryfikowany adres z ucalgary.ca
Ken A. DillDirector of Laufer Center, Stony Brook UniversityZweryfikowany adres z laufercenter.org
Alberto PerezUniversity of Florida, Department of ChemistryZweryfikowany adres z chem.ufl.edu
W.F. Drew BennettLawrence Livermore National LabZweryfikowany adres z llnl.gov
Luca MonticelliResearch Director at CNRSZweryfikowany adres z inserm.fr
Emiliano BriniSchool of Chemistry and Material Science - RITZweryfikowany adres z rit.edu
Michael J. SchniedersProfessor of Biomedical Engineering and Biochemistry, The University of IowaZweryfikowany adres z uiowa.edu
Matthew JacobsonUCSFZweryfikowany adres z ucsf.edu
Siewert J. MarrinkProfessor of Molecular Dynamics, University of GroningenZweryfikowany adres z rug.nl
Joseph A. MorroneIBM T.J. Watson Research CenterZweryfikowany adres z us.ibm.com
Steve PresseASUZweryfikowany adres z asu.edu
Vijay PandeAndreessen Horowitz, Stanford UniversityZweryfikowany adres z stanford.edu
Carlos Jose BustamanteUniversity of California, BerkeleyZweryfikowany adres z alice.berkeley.edu
Carlos SimmerlingMarsha Laufer Chair in Physical & Quantitative Biology, SUNY Stony BrookZweryfikowany adres z stonybrook.edu
Arijit RoyTCS Research, HyderabadZweryfikowany adres z tcs.com
Zheng Yang, Ph.D.Mira, Quanovate Tech Inc.Zweryfikowany adres z quanovate.com
Ivet BaharDirector, Laufer Center for Physical & Quantitative Biology, Stony Brook UniversityZweryfikowany adres z pitt.edu
koushik kasavajhalaSenior Scientist II, SchrödingerZweryfikowany adres z schrodinger.com
Evangelos CoutsiasDepartment of Applied Mathematics and Statistics, Stony Brook UniversityZweryfikowany adres z stonybrook.edu

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Justin MacCallum

Department of Chemistry, University of Calgary

Zweryfikowany adres z ucalgary.ca - Strona główna

Integrative structural biology protein-protein interactions protein design


Tytuł Sortuj wg cytatów Sortuj wg roku Sortuj wg tytułu	Cytowane przez Cytowane przez	Rok
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	608	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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