Improved side‐chain torsion potentials for the Amber ff99SB protein force field

Kresten Lindorff‐Larsen, Stefano Piana, Kim Palmö, +4

Proteins Structure Function and Bioinformatics

Side‐chain Torsion PotentialsProtein AssemblyBiomolecular Structure PredictionStructural BioinformaticsMolecular Biology +14

Molecular dynamics---Scalable algorithms for molecular dynamics simulations on commodity clusters

K. J. Bowers, Federico D. Sacerdoti, John K. Salmon, +10

Cluster ComputingEngineeringComputer ArchitectureComputational ChemistryChemistry +19

How Fast-Folding Proteins Fold

Kresten Lindorff‐Larsen, Stefano Piana, Ron O. Dror, +1

Science

Protein AssemblyMolecular BiologyProtein RefoldingFolding ProcessMolecular Dynamics +18

Atomic-Level Characterization of the Structural Dynamics of Proteins

David E. Shaw, Paul Maragakis, Kresten Lindorff‐Larsen, +8

Science

Protein ChemistryUnfolding EventsProtein AssemblyBiochemistryProtein Folding +12

Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters

K. J. Bowers, David E. Chow, Huafeng Xu, +10

Cluster ComputingEngineeringComputer ArchitectureComputational ChemistryMolecular Dynamics +17

Structural insights into µ-opioid receptor activation

Weijiao Huang, Aashish Manglik, AJ Venkatakrishnan, +15

Nature

Molecular PharmacologySignal TransductionPain MedicineAddictionMedicine +6

Structure and dynamics of the M3 muscarinic acetylcholine receptor

Andrew C. Kruse, Jianxin Hu, Albert C. Pan, +11

Nature

BiochemistryG Protein-coupled ReceptorMedicineReceptor (Biochemistry)Neuropharmacology +2

Anton, a special-purpose machine for molecular dynamics simulation

David E. Shaw, Martin M. Deneroff, Ron O. Dror, +24

Communications of the ACM

Computational BiophysicsSpecial-purpose MachineEngineeringPhysicsNatural Sciences +13

The Dynamic Process of β2-Adrenergic Receptor Activation

Rie Nygaard, Yaozhong Zou, Ron O. Dror, +13

Cell

Molecular PharmacologyMolecular PhysiologySignal TransductionMedicinePhysiology +5

Structure and function of an irreversible agonist-β2 adrenoceptor complex

Daniel M. Rosenbaum, Cheng Zhang, Joseph A. Lyons, +15

Nature

Molecular PharmacologyMolecular PhysiologySignal TransductionBiochemistryG Protein-coupled Receptor +5