Cyclophilin A catalyzes proline isomerization by an electrostatic handle mechanism

On the statistical equivalence of restrained-ensemble simulations with the maximum entropy method

(2013) Benoît Roux et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics simulations with replica-averaged structural restraints generate structural ensembles according to the maximum entropy principle

(2013) Andrea Cavalli et al.   JOURNAL OF CHEMICAL PHYSICS

Extracellular cyclophilin-A stimulates ERK1/2 phosphorylation in a cell-dependent manner but broadly stimulates nuclear factor kappa B

(2012) Karim Bahmed et al.   Cancer Cell International

Determination of structural fluctuations of proteins from structure-based calculations of residual dipolar couplings

(2012) Rinaldo W. Montalvao et al.   JOURNAL OF BIOMOLECULAR NMR

On the Use of Experimental Observations to Bias Simulated Ensembles

(2012) Jed W. Pitera et al.   Journal of Chemical Theory and Computation

Characterization of the Conformational Equilibrium between the Two Major Substates of RNase A Using NMR Chemical Shifts

(2012) Carlo Camilloni et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Interpreting Protein Structural Dynamics from NMR Chemical Shifts

(2012) Paul Robustelli et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Taking Ockham's razor to enzyme dynamics and catalysis

(2012) David R. Glowacki et al.   Nature Chemistry

Structure of an Intermediate State in Protein Folding and Aggregation

(2012) P. Neudecker et al.   SCIENCE

NMR reveals novel mechanisms of protein activity regulation

(2011) Charalampos G. Kalodimos   PROTEIN SCIENCE

Coupled motions in enzyme catalysis

(2010) Vishal C Nashine et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Dissecting the Microscopic Steps of the Cyclophilin A Enzymatic Cycle on the Biological HIV-1 Capsid Substrate by NMR

(2010) Daryl A. Bosco et al.   JOURNAL OF MOLECULAR BIOLOGY

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

(2010) Phineus R. L. Markwick et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural basis for regulation of the Crk signaling protein by a proline switch

(2010) Paramita Sarkar et al.   Nature Chemical Biology

Atomic-Level Characterization of the Structural Dynamics of Proteins

(2010) D. E. Shaw et al.   SCIENCE

Using NMR Chemical Shifts as Structural Restraints in Molecular Dynamics Simulations of Proteins

(2010) Paul Robustelli et al.   STRUCTURE

Structural and Biochemical Characterization of the Human Cyclophilin Family of Peptidyl-Prolyl Isomerases

(2010) Tara L. Davis et al.   PLOS BIOLOGY

Molecular Determinants of a Native-State Prolyl Isomerization

(2009) Roman P. Jakob et al.   JOURNAL OF MOLECULAR BIOLOGY

Solution Characterization of the Extracellular Region of CD147 and Its Interaction with Its Enzyme Ligand Cyclophilin A

(2009) Jennifer Schlegel et al.   JOURNAL OF MOLECULAR BIOLOGY

Mechanistic Insight into the Role of Transition-State Stabilization in Cyclophilin A

(2009) Donald Hamelberg et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hidden alternative structures of proline isomerase essential for catalysis

(2009) James S. Fraser et al.   NATURE

Enzymatic transition states and dynamic motion in barrier crossing

(2009) Steven D Schwartz et al.   Nature Chemical Biology

Mechanism of Action of Cyclophilin A Explored by Metadynamics Simulations

(2009) Vanessa Leone et al.   PLoS Computational Biology

Recognition Dynamics Up to Microseconds Revealed from an RDC-Derived Ubiquitin Ensemble in Solution

(2008) O. F. Lange et al.   SCIENCE