Unknown Unknowns: the Challenge of Systematic and Statistical Error in Molecular Dynamics Simulations von Romo, Tod D., Grossfield, Alan

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A Lipid Pathway for Ligand Binding Is Necessary for a Cannabinoid G Protein-coupled Receptor von Hurst, Dow P., Grossfield, Alan, Lynch, Diane L., Feller, Scott, Romo, Tod D., Gawrisch, Klaus, Pitman, Michael C., Reggio, Patricia H.

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Elastic Network Models Are Robust to Variations in Formalism von Leioatts, Nicholas, Romo, Tod D, Grossfield, Alan

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Selectivity and Mechanism of Fengycin, an Antimicrobial Lipopeptide, from Molecular Dynamics von Sur, Sreyoshi, Romo, Tod D, Grossfield, Alan

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Retinal Conformation Changes Rhodopsin’s Dynamic Ensemble von Leioatts, Nicholas, Romo, Tod D., Danial, Shairy Azmy, Grossfield, Alan

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Retinal Ligand Mobility Explains Internal Hydration and Reconciles Active Rhodopsin Structures von Leioatts, Nicholas, Mertz, Blake, Martínez-Mayorga, Karina, Romo, Tod D, Pitman, Michael C, Feller, Scott E, Grossfield, Alan, Brown, Michael F

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LOOS: A suite of tools for analyzing molecular dynamics simulations von Grossfield, Alan, Romo, Tod D.

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Lightweight object oriented structure analysis: Tools for building tools to analyze molecular dynamics simulations von Romo, Tod D., Leioatts, Nicholas, Grossfield, Alan

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How Fast is Your Camera? Timescales for Molecular Motion and their Role in Restraining Molecular Dynamics von Romo, Tod D., Grossfield, Alan

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Conformational dynamics of adenylate kinase in crystals von Kim, Junhyung, Moon, Sojin, Romo, Tod D., Yang, Yifei, Bae, Euiyoung, Phillips, George N.

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Membrane binding of an acyl-lactoferricin B antimicrobial peptide from solid-state NMR experiments and molecular dynamics simulations von Romo, Tod D., Bradney, Laura A., Greathouse, Denise V., Grossfield, Alan

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Lipids Alter Rhodopsin Function via Ligand-like and Solvent-like Interactions von Salas-Estrada, Leslie A., Leioatts, Nicholas, Romo, Tod D., Grossfield, Alan

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Block Covariance Overlap Method and Convergence in Molecular Dynamics Simulation von Romo, Tod D, Grossfield, Alan

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Validating and improving elastic network models with molecular dynamics simulations von Romo, Tod D., Grossfield, Alan

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Simulating the Mechanism of Antimicrobial Lipopeptides with All-Atom Molecular Dynamics von Horn, Joshua N, Romo, Tod D, Grossfield, Alan

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Concerted interconversion between ionic lock substates of the beta(2) adrenergic receptor revealed by microsecond timescale molecular dynamics von Romo, Tod D, Grossfield, Alan, Pitman, Michael C

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Persistent Protein Motions in a Rugged Energy Landscape Revealed by Normal Mode Ensemble Analysis von Romo, Tod D, Grossfield, Alan, Markelz, Andrea G

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Structure-based simulations reveal concerted dynamics of GPCR activation von Leioatts, Nicholas, Suresh, Pooja, Romo, Tod D., Grossfield, Alan

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Characterization of a potent antimicrobial lipopeptide via coarse-grained molecular dynamics von Horn, Joshua N., Sengillo, Jesse D., Lin, Dejun, Romo, Tod D., Grossfield, Alan

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Minimal Nucleation State of α‑Synuclein Is Stabilized by Dynamic Threonine–Water Networks von Romo, Tod D, Lewis, Andrew K, Braun, Anthony R, Grossfield, Alan, Sachs, Jonathan N

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