MacCallum, Justin: search on Z-Library

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1

Molecular Dynamics Simulations of Pentapeptides at Interfaces: Salt Bridge and Cation−π Interactions †

Aliste, Marcela P., MacCallum, Justin L., Tieleman, D. Peter

Journal:

Year:

2003

Language:

english

File:

PDF, 1.19 MB

english, 2003

2

Development of an ultra-sensitive electrochemical sensor for Δ9-tetrahydrocannabinol (THC) and its metabolites using carbon paper electrodes

Renaud-Young, Margaret, Mayall, Robert M., Salehi, Vajiheh, Goledzinowski, Maciej, Comeau, Felix J.E., MacCallum, Justin L., Birss, Viola I.

Journal:

Electrochimica Acta

Year:

2019

Language:

english

File:

PDF, 620 KB

english, 2019

3

Computing the Relative Stabilities and the Per-Residue Components in Protein Conformational Changes

Roy, Arijit, Perez, Alberto, Dill, Ken A., MacCallum, Justin L.

Journal:

Year:

2014

Language:

english

File:

PDF, 1.74 MB

english, 2014

4

Assessment of the protein-structure refinement category in CASP8

Justin L. MacCallum, Lan Hua, Michael J. Schnieders, Vijay S. Pande, Matthew P. Jacobson, Ken A. Dill

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2009

Language:

english

File:

PDF, 533 KB

english, 2009

5

Computer Modeling of Polyleucine-Based Coiled Coil Dimers in a Realistic Membrane Environment: Insight into Helix−Helix Interactions in Membrane Proteins †

Ash, Walter L., Stockner, Thomas, MacCallum, Justin L., Tieleman, D. Peter

Journal:

Year:

2004

Language:

english

File:

PDF, 478 KB

english, 2004

6

Waterfall Sampling: An Online Sequential Monte Carlo Strategy for Conformational Sampling of Biomolecular Systems

Ishruna Muniyat, Mir, MacCallum, Justin L.

Journal:

Biophysical Journal

Year:

2019

Language:

english

File:

PDF, 43 KB

english, 2019

7

Determining protein structures by combining semireliable data with atomistic physical models by Bayesian inference

MacCallum, Justin L., Perez, Alberto, Dill, Ken A.

Journal:

Proceedings of the National Academy of Sciences

Year:

2015

Language:

english

File:

PDF, 1.49 MB

english, 2015

8

High accuracy protein structures from minimal sparse paramagnetic solid‐state NMR restraints

Perez, Alberto, Gaalswyk, Kari, Jaroniec, Christopher P, MacCallum, Justin L.

Journal:

Angewandte Chemie

Year:

2019

File:

PDF, 2.00 MB

2019

9

High Accuracy Protein Structures from Minimal Sparse Paramagnetic Solid-State NMR Restraints

Perez, Alberto, Gaalswyk, Kari, Jaroniec, Christopher P., MacCallum, Justin L.

Journal:

Angewandte Chemie International Edition

Year:

2019

Language:

english

File:

PDF, 1.84 MB

english, 2019

10

Combining Physics and Knowledge in Blind Protein Structure Prediction

perez, alberto, Brini, Emiliano, Morrone, Joseph, Wagoner, Jason, MacCallum, Justin, Dill, Ken

Journal:

Biophysical Journal

Year:

2016

Language:

english

File:

PDF, 43 KB

english, 2016

11

Molecular dynamics simulations of biological membranes

D. Peter Tieleman, W.F. Drew Bennet, Justin MacCallum

Journal:

Chemistry and Physics of Lipids

Year:

2007

Language:

english

File:

PDF, 44 KB

english, 2007

12

Hydrophobicity scales: a thermodynamic looking glass into lipid–protein interactions

Justin L. MacCallum, D. Peter Tieleman

Journal:

Trends in Biochemical Sciences

Year:

2011

Language:

english

File:

PDF, 1.38 MB

english, 2011

13

Improving Protein Structure Prediction by Smoothing Energy Functions

MacCallum, Justin L., Rollins, Geoffrey C., Dill, Ken A.

Journal:

Biophysical Journal

Year:

2010

Language:

english

File:

PDF, 51 KB

english, 2010

14

Automatic Protein Structure Determination from Sparse NMR Spectroscopy Data

MacCallum, Justin L., Tang, Yuefeng, Huang, Y. Janet, Montelione, Gaetano T.

Journal:

Biophysical Journal

Year:

2016

Language:

english

File:

PDF, 38 KB

english, 2016

15

The emerging role of physical modeling in the future of structure determination

Gaalswyk, Kari, Muniyat, Mir Ishruna, MacCallum, Justin L

Journal:

Current Opinion in Structural Biology

Year:

2018

Language:

english

File:

PDF, 549 KB

english, 2018

16

On-line Optimization of Total Acceptance in Hamiltonian Replica Exchange Simulations

MacCallum, Justin L., Muniyat, Mir Ishruna, Gaalswyk, Kari

Journal:

Journal of Physical Chemistry B

Year:

2018

Language:

english

File:

PDF, 5.19 MB

english, 2018

17

Integrative Modeling of Protein Conformational Ensembles using Limited Data

MacCallum, Justin L., Perez, Alberto, Dill, Kenneth A.

Journal:

Biophysical Journal

Year:

2013

Language:

english

File:

PDF, 72 KB

english, 2013

18

Constraint methods that accelerate free-energy simulations of biomolecules

Perez, Alberto, MacCallum, Justin L., Coutsias, Evangelos A., Dill, Ken A.

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 11.61 MB

english, 2015

19

Using Delaunay Tessellation of Proteins to Improve Current ENM

Perez, Alberto, MacCallum, Justin, Hummel, Michelle, Coutsias, Evangelos, Dill, Ken A.

Journal:

Biophysical Journal

Year:

2012

Language:

english

File:

PDF, 51 KB

english, 2012

20

Computer Simulation of the Distribution of Hexane in a Lipid Bilayer: Spatially Resolved Free Energy, Entropy, and Enthalpy Profiles

MacCallum, Justin L., Tieleman, D. Peter

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 309 KB

english, 2006

21

Grid-Based Backbone Correction to the ff12SB Protein Force Field for Implicit-Solvent Simulations

Perez, Alberto, MacCallum, Justin L., Brini, Emiliano, Simmerling, Carlos, Dill, Ken A.

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 2.23 MB

english, 2015

22

Computed Binding of Peptides to Proteins with MELD-Accelerated Molecular Dynamics

Morrone, Joseph A., Perez, Alberto, MacCallum, Justin, Dill, Ken A.

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 2.25 MB

english, 2017

23

171 Protein structure prediction with limited data

Perez, Alberto, MacCallum, Justin, Dill, Ken

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2013

Language:

english

File:

PDF, 65 KB

english, 2013

24

[Current Topics in Membranes] Computational Modeling of Membrane Bilayers Volume 60 || Chapter 8 Interactions between Small Molecules and Lipid Bilayers

MacCallum, Justin L.

Year:

2008

Language:

english

File:

PDF, 768 KB

english, 2008

25

Hydophobic Guided Protein Folding

Perez, Alberto, MacCallum, Justin L., Dill, Ken A.

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 40 KB

english, 2014

26

Extracting representative structures from protein conformational ensembles

Perez, Alberto, Roy, Arijit, Kasavajhala, Koushik, Wagaman, Amy, Dill, Ken A., MacCallum, Justin L.

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2014

Language:

english

File:

PDF, 3.33 MB

english, 2014

27

Calculation of the water–cyclohexane transfer free energies of neutral amino acid side-chain analogs using the OPLS all-atom force field

Justin L. MacCallum, D. Peter Tieleman

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 98 KB

english, 2003

28

Computer simulation of the KvAP voltage-gated potassium channel: steered molecular dynamics of the voltage sensor

Luca Monticelli, Kindal M. Robertson, Justin L. MacCallum, D.Peter Tieleman

Journal:

Year:

2004

Language:

english

File:

PDF, 676 KB

english, 2004

29

Meld: Modeling Peptide-Protein Interactions

Perez, Alberto, MacCallum, Justin, Dill, Ken A.

Journal:

Biophysical Journal

Year:

2013

Language:

english

File:

PDF, 41 KB

english, 2013

30

Membrane protein simulations with a united-atom lipid and all-atom protein model: lipid–protein interactions, side chain transfer free energies and model proteins

Tieleman, D Peter, MacCallum, Justin L, Ash, Walter L, Kandt, Christian, Xu, Zhitao, Monticelli, Luca

Journal:

Journal of Physics Condensed Matter

Year:

2006

Language:

english

File:

PDF, 303 KB

english, 2006

31

Assessment of protein structure refinement in CASP9

Justin L. MacCallum, Alberto Pérez, Michael J. Schnieders, Lan Hua, Matthew P. Jacobson, Ken A. Dill

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2011

Language:

english

File:

PDF, 1.05 MB

english, 2011

32

Direct Simulation of Transmembrane Helix Association: Role of Asparagines

Stockner, Thomas, Ash, Walter L., MacCallum, Justin L., Tieleman, D. Peter

Journal:

Biophysical Journal

Year:

2004

Language:

english

File:

PDF, 317 KB

english, 2004

33

Distribution of Amino Acids in a Lipid Bilayer from Computer Simulations

MacCallum, Justin L., Bennett, W. F. Drew, Tieleman, D. Peter

Journal:

Biophysical Journal

Year:

2008

Language:

english

File:

PDF, 1.40 MB

english, 2008

34

Single Molecule Conformational Memory Extraction: P5ab RNA Hairpin

Pressé, Steve, Peterson, Jack, Lee, Julian, Elms, Phillip, MacCallum, Justin L., Marqusee, Susan, Bustamante, Carlos, Dill, Ken

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 1.02 MB

english, 2014

35

Using Physics and Heuristics in Protein Structure Prediction

Perez, Alberto, MacCallum, Justin, Dill, Ken A.

Journal:

Biophysical Journal

Year:

2015

Language:

english

File:

PDF, 47 KB

english, 2015

36

Determining Protein Structures by Iterating between Computation and Experiment

MacCallum, Justin L., Gaalswyk, Kari

Journal:

Biophysical Journal

Year:

2019

Language:

english

File:

PDF, 41 KB

english, 2019

37

Molecular modeling of biomolecules by paramagnetic NMR and computational hybrid methods

Pilla, Kala Bharath, Gaalswyk, Kari, MacCallum, Justin L.

Journal:

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics

Year:

2017

Language:

english

File:

PDF, 832 KB

english, 2017

38

Iterative Assembly of Protein Fragments

Rollins, Geoffrey C., MacCallum, Justin L., Dill, Ken A.

Journal:

Biophysical Journal

Year:

2010

Language:

english

File:

PDF, 40 KB

english, 2010

39

Transfer of Arginine into Lipid Bilayers Is Nonadditive

MacCallum, Justin L., Bennett, W.F. Drew, Tieleman, D. Peter

Journal:

Biophysical Journal

Year:

2011

Language:

english

File:

PDF, 859 KB

english, 2011

40

Extracting Kinetic Models from Single Molecule Experiments by Direct Inference

Presse, Steve, Lee, Julian, Peterson, G.J., MacCallum, Justin, Dill, Ken A.

Journal:

Biophysical Journal

Year:

2012

Language:

english

File:

PDF, 60 KB

english, 2012

41

Structures of Neat and Hydrated 1-Octanol from Computer Simulations

MacCallum, Justin L., Tieleman, D. Peter

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 738 KB

english, 2002

42

Physics Based Protein Structure Refinement

MacCallum, Justin L., Perez, Alberto, Dill, Ken A.

Journal:

Biophysical Journal

Year:

2012

Language:

english

File:

PDF, 104 KB

english, 2012

43

Molecular View of Cholesterol Flip-Flop and Chemical Potential in Different Membrane Environments

Bennett, W. F. Drew, MacCallum, Justin L., Hinner, Marlon J., Marrink, Siewert J., Tieleman, D. Peter

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 4.97 MB

english, 2009

44

FlexE: Using Elastic Network Models to Compare Models of Protein Structure

Perez, Alberto, Yang, Zheng, Bahar, Ivet, Dill, Ken A., MacCallum, Justin L.

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 2.81 MB

english, 2012

45

Thermodynamic Analysis of the Effect of Cholesterol on Dipalmitoylphosphatidylcholine Lipid Membranes

Bennett, W. F. Drew, MacCallum, Justin L., Tieleman, D. Peter

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 2.35 MB

english, 2009

46

High accuracy protein structures from minimal sparse paramagnetic solid‐state NMR restraints

Perez, Alberto, Gaalswyk, Kari, Jaroniec, Christopher P, MacCallum, Justin L.

Journal:

Angewandte Chemie

Year:

2019

Language:

english

File:

PDF, 2.00 MB

english, 2019

47

Computer simulations of voltage-gated potassium channel KvAP

D. Peter Tieleman, Kindal M. Robertson, Justin L. Maccallum, Luca Monticelli

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 282 KB

english, 2004

48

Cholesterol Flip-flop And Chemical Potential In A Systematic Set Of Lipid Bilayers

Bennett, W.F. Drew, MacCallum, Justin L., Hinner, Marlon J., Marrink, Siewert J., Tieleman, D. Peter

Journal:

Biophysical Journal

Year:

2009

Language:

english

File:

PDF, 38 KB

english, 2009

49

Inferring Protein Structures from Sparse and Ambiguous Data

MacCallum, Justin L., Perez, Alberto, Dill, Kenneth A.

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 80 KB

english, 2014

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