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University of Illinois Urbana-Champaign

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Showing 1–30 of 67 items
Thumbnail for Application of All-Atom and Coarse-Grained Molecular Dynamics Simulations to Long Timescale Structural Transitions of Proteins
Application of All-Atom and Coarse-Grained Molecular Dynamics Simulations to Long Timescale Structural Transitions of Proteins
Freddolino, Peter L.

Thumbnail for Blue Waters 2017 Annual Report
Blue Waters 2017 Annual Report
Blue Waters Project

Thumbnail for Analysis of Molecular Dynamics Simulations of Protein Folding
Analysis of Molecular Dynamics Simulations of Protein Folding
Rajan, Aruna

Thumbnail for Coarse-Grained Molecular Dynamics Simulations of Macromolecular Complexes
Coarse-Grained Molecular Dynamics Simulations of Macromolecular Complexes
Arkhipov, Anton Sergeevich

Thumbnail for Structure, Assembly, and Maturation of High-Density Lipoproteins
Structure, Assembly, and Maturation of High-Density Lipoproteins
Shih, Amy

Thumbnail for Computational investigations of protein dynamics and its implications for biological functions
Computational investigations of protein dynamics and its implications for biological functions
Liu, Yanxin

Thumbnail for Selective transport of the nuclear pore complex studied through all-atom and coarse-grained molecular dynamics simulations
Selective transport of the nuclear pore complex studied through all-atom and coarse-grained molecular dynamics simulations
Miao, Lingling

Thumbnail for Computational Investigation of Protein-Membrane Systems Involved in Cellular Trafficking
Computational Investigation of Protein-Membrane Systems Involved in Cellular Trafficking
Yin, Ying

Thumbnail for Structure, Assembly, and Maturation of High -Density Lipoproteins
Structure, Assembly, and Maturation of High -Density Lipoproteins
Shih, Amy

Thumbnail for Lengthening the timescale reach of molecular dynamics
Lengthening the timescale reach of molecular dynamics
Tanner, David

Thumbnail for Multiscale Modeling of Biomolecular Complexes
Multiscale Modeling of Biomolecular Complexes
Villa Rodriguez, Elizabeth

Thumbnail for Quantum Mechanical/Molecular Mechanical Studies of F1-ATPase and a Plant Photoreceptor
Quantum Mechanical/Molecular Mechanical Studies of F1-ATPase and a Plant Photoreceptor
Dittrich, Markus

Thumbnail for Quantum Mechanical/molecular Mechanical Studies of F(1)-Atpase and a Plant Photoreceptor
Quantum Mechanical/molecular Mechanical Studies of F(1)-Atpase and a Plant Photoreceptor
Dittrich, Markus

Thumbnail for Blue Waters 2016 Annual Report
Blue Waters 2016 Annual Report
Blue Waters Project

Thumbnail for Transport properties of synthetic nanopores
Transport properties of synthetic nanopores
Cruz, Eduardo

Thumbnail for Structural analyses of the ribosome by hybrid approach
Structural analyses of the ribosome by hybrid approach
Chan, Kwok Yan

Thumbnail for Investigating the mechanisms of protein synthesis using multi-resolution structural data
Investigating the mechanisms of protein synthesis using multi-resolution structural data
Trabuco, Leonardo G.

Thumbnail for Computational investigation of protein translocation and membrane insertion
Computational investigation of protein translocation and membrane insertion
Gumbart, James Conrad

Thumbnail for Dynamics of protein-membrane interactions in drug metabolism and cancer
Dynamics of protein-membrane interactions in drug metabolism and cancer
Camp, Tyler

Thumbnail for Using the High Productivity Language Chapel to Target GPGPU Architectures
Using the High Productivity Language Chapel to Target GPGPU Architectures
Sidelnik, Albert; Chamberlain, Bradford L.; Garzaran, Maria J.; Padua, David

Thumbnail for Modeling cellular metabolism in multiple scales
Modeling cellular metabolism in multiple scales
Cardoso Dos Reis Melo, Marcelo

Thumbnail for Protein folding in living cells and under pressure
Protein folding in living cells and under pressure
Wirth, Anna J

Thumbnail for Computational investigations of cellular functions: Three cases on membrane morphogenesis, organization and assembly of a multi-protein complex, and the molecular origin of muscle elasticity
Computational investigations of cellular functions: Three cases on membrane morphogenesis, organization and assembly of a multi-protein complex, and the molecular origin of muscle elasticity
Hsin, Ya-Chieh

Thumbnail for Computational Studies on the Mechanical Properties of Muscle and Blood Clot Elasticity
Computational Studies on the Mechanical Properties of Muscle and Blood Clot Elasticity
Lee, Eric Ho-Yin

Thumbnail for From metabolites to macromolecules: Computational models of the E. coli and H. sapiens cytoplasms
From metabolites to macromolecules: Computational models of the E. coli and H. sapiens cytoplasms
Rickard, Meredith

Thumbnail for Evolution of protein structure function
Evolution of protein structure function
Shamsi, Zahra

Thumbnail for Computational Investigations of Cellular Functions: Three Cases on Membrane Morphogenesis, Organization and Assembly of a Multi-Protein Complex, and the Molecular Origin of Muscle Elasticity
Computational Investigations of Cellular Functions: Three Cases on Membrane Morphogenesis, Organization and Assembly of a Multi-Protein Complex, and the Molecular Origin of Muscle Elasticity
Hsin, Ya-Chieh

Thumbnail for Frustration of protein folding from in vitro to in vivo
Frustration of protein folding from in vitro to in vivo
Zhang, Yi

Thumbnail for Molecular mechanisms of gating and selectivity in transport channels
Molecular mechanisms of gating and selectivity in transport channels
Gamini, Ramya Bhargavi

Thumbnail for Enforced Large-Scale Motions in Proteins
Enforced Large-Scale Motions in Proteins
Isralewitz, Barry