Charge Effects on the Fibril-Forming Peptide KTVIIE: A Two-Dimensional Replica Exchange Simulation Study

door Jeon, Joohyun, Shell, M. Scott
Gepubliceerd in 2012

Smoothing Protein Energy Landscapes by Integrating Folding Models with Structure Prediction

door Pritchard-Bell, Ari, Shell, M. Scott
Gepubliceerd in 2011

A hybrid, bottom-up, structurally accurate, G [Formula: see text]-like coarse-grained protein model

door Sanyal, Tanmoy, Mittal, Jeetain, Shell, M. Scott
Gepubliceerd in J Chem Phys (2019)

A Test on Peptide Stability of AMBER Force Fields with Implicit Solvation

door Shell, M. Scott, Ritterson, Ryan, Dill, Ken A.
Gepubliceerd in 2008

Predicting Peptide Structures in Native Proteins from Physical Simulations of Fragments

door Voelz, Vincent A., Shell, M. Scott, Dill, Ken A.
Gepubliceerd in 2009

Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics

door Petsev, Nikolai D., Leal, L. Gary, Shell, M. Scott
Gepubliceerd in J Chem Phys (2015)

Multiscale simulation of ideal mixtures using smoothed dissipative particle dynamics

door Petsev, Nikolai D., Leal, L. Gary, Shell, M. Scott
Gepubliceerd in J Chem Phys (2016)

An Information-Theory-Based Approach for Optimal Model Reduction of Biomolecules

door Giulini, Marco, Menichetti, Roberto, Shell, M. Scott, Potestio, Raffaello
Gepubliceerd in J Chem Theory Comput (2020)

The Protein Folding Problem

door Dill, Ken A., Ozkan, S. Banu, Shell, M. Scott, Weikl, Thomas R.
Gepubliceerd in 2008

Exploring the landscape of model representations

door Foley, Thomas T., Kidder, Katherine M., Shell, M. Scott, Noid, W. G.
Gepubliceerd in Proc Natl Acad Sci U S A (2020)

Blind Test of Physics-Based Prediction of Protein Structures

door Shell, M. Scott, Ozkan, S. Banu, Voelz, Vincent, Wu, Guohong Albert, Dill, Ken A.
Gepubliceerd in 2009

Extrapolation and interpolation strategies for efficiently estimating structural observables as a function of temperature and density

door Monroe, Jacob I., Hatch, Harold W., Mahynski, Nathan A., Shell, M. Scott, Shen, Vincent K.
Gepubliceerd in J Chem Phys (2020)

Affinity of small-molecule solutes to hydrophobic, hydrophilic, and chemically patterned interfaces in aqueous solution

door Monroe, Jacob I., Jiao, Sally, Davis, R. Justin, Robinson Brown, Dennis, Katz, Lynn E., Shell, M. Scott
Gepubliceerd in Proc Natl Acad Sci U S A (2021)

Surface chemical heterogeneity modulates silica surface hydration

door Schrader, Alex M., Monroe, Jacob I., Sheil, Ryan, Dobbs, Howard A., Keller, Timothy J., Li, Yuanxin, Jain, Sheetal, Shell, M. Scott, Israelachvili, Jacob N., Han, Songi
Gepubliceerd in Proc Natl Acad Sci U S A (2018)

Development of an Optimized Activatable MMP-14 targeted SPECT Imaging Probe

door Watkins, Gregory A., Jones, Ella Fung, Shell, M. Scott, VanBrocklin, Henry F., Pan, Mei-Hsiu, Hanrahan, Stephen M., Feng, Jin Jin, He, Jiang, Sounni, Nor Eddine, Dill, Ken A., Contag, Christopher H., Coussens, Lisa M., Franc, Benjamin L.
Gepubliceerd in 2008