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

Por MacCallum, Justin L., Perez, Alberto, Dill, Ken A.
Publicado no Proc Natl Acad Sci U S A (2015)

Accelerating molecular simulations of proteins using Bayesian inference on weak information

Por Perez, Alberto, MacCallum, Justin L., Dill, Ken A.
Publicado no Proc Natl Acad Sci U S A (2015)

Partitioning of Amino Acid Side Chains into Lipid Bilayers: Results from Computer Simulations and Comparison to Experiment

Por MacCallum, Justin L., Bennett, W.F. Drew, Tieleman, D. Peter
Publicado em 2007

Distribution of Amino Acids in a Lipid Bilayer from Computer Simulations

Por MacCallum, Justin L., Bennett, W. F. Drew, Tieleman, D. Peter
Publicado em 2008

Transfer of Arginine into Lipid Bilayers Is Nonadditive

Por MacCallum, Justin L., Bennett, W.F. Drew, Tieleman, D. Peter
Publicado em 2011

Computing the relative stabilities, and the per-residue components, in protein conformational changes

Por Roy, Arijit, Perez, Alberto, Dill, Ken A., MacCallum, Justin L.
Publicado em 2013

Direct Simulation of Transmembrane Helix Association: Role of Asparagines

Por Stockner, Thomas, Ash, Walter L., MacCallum, Justin L., Tieleman, D. Peter
Publicado em 2004

Constraint methods that accelerate free-energy simulations of biomolecules

Por Perez, Alberto, MacCallum, Justin L., Coutsias, Evangelos A., Dill, Ken A.
Publicado no J Chem Phys (2015)

Hydrophobic association of α-helices, steric dewetting, and enthalpic barriers to protein folding

Por MacCallum, Justin L., Moghaddam, Maria Sabaye, Chan, Hue Sun, Tieleman, D. Peter
Publicado em 2007

FlexE: Using elastic network models to compare models of protein structure

Por Perez, Alberto, Yang, Zheng, Bahar, Ivet, Dill, Ken A., MacCallum, Justin L.
Publicado no J Chem Theory Comput (2012)

A grid-based backbone correction to the ff12SB protein force field for implicit-solvent simulations

Por Perez, Alberto, MacCallum, Justin L., Brini, Emiliano, Simmerling, Carlos, Dill, Ken A.
Publicado no J Chem Theory Comput (2015)

Blind protein structure prediction using accelerated free-energy simulations

Por Perez, Alberto, Morrone, Joseph A., Brini, Emiliano, MacCallum, Justin L., Dill, Ken A.
Publicado no Sci Adv (2016)

Assessment of the protein-structure refinement category in CASP8

Por MacCallum, Justin L., Hua, Lan, Schnieders, Michael J., Pande, Vijay S., Jacobson, Matthew P., Dill, Ken A.
Publicado em 2009

Assessment of protein structure refinement in CASP9

Por MacCallum, Justin L., Perez, Alberto, Schnieders, Michael J., Hua, Lan, Jacobson, Matthew P., Dill, Ken A.
Publicado em 2011

Single Molecule Conformational Memory Extraction: P5ab RNA Hairpin

Por Pressé, Steve, Peterson, Jack, Lee, Julian, Elms, Phillip, MacCallum, Justin L., Marqusee, Susan, Bustamante, Carlos, Dill, Ken
Publicado em 2014