A catalytic role for methionine revealed by a combination of computation and experiments on phosphite dehydrogenase

Multi-Resolution Simulation of Biomolecular Systems: A Review of Methodological Issues

(2013) Katharina Meier et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Thio Effects and an Unconventional Metal Ion Rescue in the Genomic Hepatitis Delta Virus Ribozyme

(2013) Pallavi Thaplyal et al.   BIOCHEMISTRY

Unraveling the role of protein dynamics in dihydrofolate reductase catalysis

(2013) L. Y. P. Luk et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Investigation of the Role of Arg301 Identified in the X-ray Structure of Phosphite Dehydrogenase

(2012) John E. Hung et al.   BIOCHEMISTRY

Crystal Structures of Phosphite Dehydrogenase Provide Insights into Nicotinamide Cofactor Regeneration

(2012) Yaozhong Zou et al.   BIOCHEMISTRY

Directional character of solvent- and anion-pentafluorophenyl supramolecular interactions

(2012) Tiddo J. Mooibroek et al.   CRYSTENGCOMM

Plasticity in the copper–thioether bond: Manifestation in blue Cu proteins and in synthetic analogs

(2012) Jan Reedijk   JOURNAL OF INORGANIC BIOCHEMISTRY

Putting Anion-π Interactions Into Perspective

(2011) Antonio Frontera et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Anion–arene and lone pair–arene interactions are directional

(2011) Tiddo J. Mooibroek et al.   CRYSTENGCOMM

MACiE: exploring the diversity of biochemical reactions

(2011) Gemma L. Holliday et al.   NUCLEIC ACIDS RESEARCH

Computational enzymology

(2010) Richard Lonsdale et al.   CHEMICAL COMMUNICATIONS

n→π* interactions in proteins

(2010) Gail J Bartlett et al.   Nature Chemical Biology

The halogen bond: an interim perspective

(2010) Anthony C. Legon   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

QM/MM Methods for Biomolecular Systems

(2009) Hans Martin Senn et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Understanding the Functional Roles of Amino Acid Residues in Enzyme Catalysis

(2009) Gemma L. Holliday et al.   JOURNAL OF MOLECULAR BIOLOGY

Very fast prediction and rationalization of pKa values for protein-ligand complexes

(2008) Delphine C. Bas et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Geometric characteristics of hydrogen bonds involving sulfur atoms in proteins

(2008) Peng Zhou et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

An Enzymatic Atavist Revealed in Dual Pathways for Water Activation

(2008) Donghong Min et al.   PLOS BIOLOGY