Mechanistic Insights into RNA Transphosphorylation from Kinetic Isotope Effects and Linear Free Energy Relationships of Model Reactions

Ab initiopath-integral calculations of kinetic and equilibrium isotope effects on base-catalyzed RNA transphosphorylation models

(2014) Kin-Yiu Wong et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Cα–H Carries Information of a Hydrogen Bond Involving the Geminal Hydroxyl Group: A Case Study with a Hydrogen-Bonded Complex of 1,1,1,3,3,3-Hexafluoro-2-propanol and Tertiary Amines

(2014) Uttam Pal et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Linear free energy relationships in RNA transesterification: theoretical models to aid experimental interpretations

(2014) Ming Huang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Experimental and computational analysis of the transition state for ribonuclease A-catalyzed RNA 2'-O-transphosphorylation

(2013) H. Gu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Why nature really chose phosphate

(2013) Shina C. L. Kamerlin et al.   QUARTERLY REVIEWS OF BIOPHYSICS

Characterization of the Reaction Path and Transition States for RNA Transphosphorylation Models from Theory and Experiment

(2011) Kin-Yiu Wong et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Biological Phosphoryl-Transfer Reactions: Understanding Mechanism and Catalysis

(2011) Jonathan K. Lassila et al.   Annual Review of Biochemistry

QM/MM Analysis Suggests That Alkaline Phosphatase (AP) and Nucleotide Pyrophosphatase/Phosphodiesterase Slightly Tighten the Transition State for Phosphate Diester Hydrolysis Relative to Solution: Implication for Catalytic Promiscuity in the AP Superfamily

(2011) Guanhua Hou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Continuous surface charge polarizable continuum models of solvation. I. General formalism

(2010) Giovanni Scalmani et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Dynamics Simulation of Bovine Pancreatic Ribonuclease A−CpA and Transition State-like Complexes

(2010) Elena Formoso et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Kinetic Isotope Effects for RNA Cleavage by 2′-O- Transphosphorylation: Nucleophilic Activation by Specific Base

(2010) Michael E. Harris et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hammerhead Ribozymes: True Metal or Nucleobase Catalysis? Where Is the Catalytic Power from?

(2010) Fabrice Leclerc   MOLECULES

Theoretical Modeling on the Reaction Mechanism ofp-Nitrophenylmethylphosphate Alkaline Hydrolysis and its Kinetic Isotope Effects

(2009) Violeta López-Canut et al.   Journal of Chemical Theory and Computation

Catalytic Strategies of Self-Cleaving Ribozymes

(2008) Jesse C. Cochrane et al.   ACCOUNTS OF CHEMICAL RESEARCH