Role of Active Site Rigidity in Activity: MD Simulation and Fluorescence Study on a Lipase Mutant

In Vitro Evolved Non-Aggregating and Thermostable Lipase: Structural and Thermodynamic Investigation

(2011) Md. Zahid Kamal et al.   JOURNAL OF MOLECULAR BIOLOGY

Catalysis by dihydrofolate reductase and other enzymes arises from electrostatic preorganization, not conformational motions

(2011) A. J. Adamczyk et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A Dynamic Knockout Reveals That Conformational Fluctuations Influence the Chemical Step of Enzyme Catalysis

(2011) G. Bhabha et al.   SCIENCE

Fluorescence Dynamics of Double- and Single-Stranded DNA Bound to Histone and Micellar Surfaces

(2010) Teena Goel et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Characterization of the Heterogeneity and Specificity of Interpolypeptide Interactions in Amyloid Protofibrils by Measurement of Site-Specific Fluorescence Anisotropy Decay Kinetics

(2009) Anjali Jha et al.   JOURNAL OF MOLECULAR BIOLOGY

Hidden alternative structures of proline isomerase essential for catalysis

(2009) James S. Fraser et al.   NATURE

Enzyme millisecond conformational dynamics do not catalyze the chemical step

(2009) A. V. Pisliakov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Rational stabilization of enzymes by computational redesign of surface charge–charge interactions

(2009) Alexey V. Gribenko et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Dynamics and unfolding pathways of a hyperthermophilic and a mesophilic rubredoxin

(2009) Themis Lazaridis et al.   PROTEIN SCIENCE

Thermally denatured state determines refolding in lipase: Mutational analysis

(2009) Shoeb Ahmad et al.   PROTEIN SCIENCE

Free-Energy Landscape of Enzyme Catalysis†

(2008) Stephen J. Benkovic et al.   BIOCHEMISTRY

Protein flexibility in psychrophilic and mesophilic trypsins. Evidence of evolutionary conservation of protein dynamics in trypsin-like serine-proteases

(2008) Elena Papaleo et al.   FEBS LETTERS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Thermostable Bacillus subtilis Lipases: In Vitro Evolution and Structural Insight

(2008) Shoeb Ahmad et al.   JOURNAL OF MOLECULAR BIOLOGY

Structural Reorganization and Preorganization in Enzyme Active Sites: Comparisons of Experimental and Theoretically Ideal Active Site Geometries in the Multistep Serine Esterase Reaction Cycle

(2008) Adam J. T. Smith et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY