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Publications by David E. Shaw

The Role of Ligands on the Equilibria Between Functional States of a G Protein-Coupled Receptor

Journal of the American Chemical Society

Surface Chemistry

English

Membrane Interaction of Bound Ligands Contributes to the Negative Binding Cooperativity of the EGF Receptor

PLoS Computational Biology

Molecular Neuroscience

Molecular Biology

Computational Theory

English

Improved Physical Models Enable the Investigation of Molecular Recognition in Intrinsically Disordered Proteins at Atomistic Rsolution

Biophysical Journal

English

Structural Basis for Modulation of a GPCR by Allosteric Drugs

Biophysical Journal

English

Atomic Level Characterization of an Ensemble of Amyloid Beta Oligomers

Biophysical Journal

English

Developing Force Fields for the Accurate Simulation of Both Ordered and Disordered Protein States

Biophysical Journal

English

Computationally Efficient Molecular Dynamics Integrators With Improved Sampling Accuracy

Molecular Physics

Theoretical Chemistry

Condensed Matter Physics

Molecular Biology

English

Automated Event Detection and Activity Monitoring in Long Time-Scale Molecular Dynamics

Biophysical Journal

English

Simulation and Embedded Software Development for Anton, a Parallel Machine With Heterogeneous Multicore ASICs

English