Structural Biology by NMR: Structure, Dynamics, and Interactions

por Markwick, Phineus R. L., Malliavin, Thérèse, Nilges, Michael
Publicado 2008

On the Use of Accelerated Molecular Dynamics to Enhance Configurational Sampling in Ab Initio Simulations

por Bucher, Denis, Pierce, Levi C. T., McCammon, J. Andrew, Markwick, Phineus R. L.
Publicado 2011

Adaptive Accelerated Molecular Dynamics (Ad-AMD) Revealing the Molecular Plasticity of P450cam

por Markwick, Phineus R. L., Pierce, Levi C. T., Goodin, David B., McCammon, J. Andrew
Publicado 2011

Enhanced Lipid Diffusion and Mixing in Accelerated Molecular Dynamics

por Wang, Yi, Markwick, Phineus R. L., de Oliveira, César Augusto F., McCammon, J. Andrew
Publicado 2011

Toward a Unified Representation of Protein Structural Dynamics in Solution

por Markwick, Phineus R. L., Bouvignies, Guillaume, Salmon, Loic, McCammon, J. Andrew, Nilges, Michael, Blackledge, Martin
Publicado 2009

Correlated Motions and Residual Frustration in Thrombin

por Fuglestad, Brian, Gasper, Paul M., McCammon, J. Andrew, Markwick, Phineus R. L., Komives, Elizabeth A.
Publicado 2013

Exploring the Photophysical Properties of Molecular Systems Using Excited State Accelerated ab Initio Molecular Dynamics

por Ortiz-Sánchez, Juan Manuel, Bucher, Denis, Pierce, Levi C. T., Markwick, Phineus R. L., McCammon, J. Andrew
Publicado 2012

Enhanced Conformational Space Sampling Improves the Prediction of Chemical Shifts in Proteins

por Markwick, Phineus R. L., Cervantes, Carla F., Abel, Barrett L., Komives, Elizabeth A., Blackledge, Martin, McCammon, J. Andrew
Publicado 2010

Disease-Associated Mutations Disrupt Functionally Important Regions of Intrinsic Protein Disorder

por Vacic, Vladimir, Markwick, Phineus R. L., Oldfield, Christopher J., Zhao, Xiaoyue, Haynes, Chad, Uversky, Vladimir N., Iakoucheva, Lilia M.
Publicado 2012

NMR reveals a dynamic allosteric pathway in thrombin

por Handley, Lindsey D., Fuglestad, Brian, Stearns, Kyle, Tonelli, Marco, Fenwick, R. Bryn, Markwick, Phineus R. L., Komives, Elizabeth A.
Publicado 2017

Functional Dynamics of the Folded Ankyrin Repeats of IκBα Revealed by Nuclear Magnetic Resonance

por Cervantes, Carla F., Markwick, Phineus R. L., Sue, Shih-Che, McCammon, J. Andrew, Dyson, H. Jane, Komives, Elizabeth A.
Publicado 2009

Cobalt 1,3-Diisopropyl-1H-imidazol-2-ylidene Complexes: Synthesis, Solid-State Structures, and Quantum Chemistry Calculations

por Vélez, Carmen L., Markwick, Phineus R. L., Holland, Ryan L., DiPasquale, Antonio G., Rheingold, Arnold L., O’Connor, Joseph M.
Publicado 2010

Mechanism of Glycan Receptor Recognition and Specificity Switch for Avian, Swine, and Human Adapted Influenza Virus Hemagglutinins: A Molecular Dynamics Perspective

por Newhouse, E. Irene, Xu, Dong, Markwick, Phineus R. L., Amaro, Rommie E., Pao, Hsing C., Wu, Kevin J., Alam, Maqsudul, McCammon, J. Andrew, Li, Wilfred W.
Publicado 2009

Multi-Timescale Conformational Dynamics of the SH3 Domain of CD2-Associated Protein using NMR Spectroscopy and Accelerated Molecular Dynamics**

por Salmon, Loïc, Pierce, Levi, Grimm, Alexander, Ortega Roldan, Jose-Luis, Mollica, Luca, Jensen, Malene Ringkjøbing, van Nuland, Nico, Markwick, Phineus R L, McCammon, J Andrew, Blackledge, Martin
Publicado 2012