Structural and computational analysis of peptide recognition mechanism of class-C type penicillin binding protein, alkaline D-peptidase from Bacillus cereus DF4-B

Computational design of a sulfoglucuronide derivative fitting into a hydrophobic pocket of dengue virus E protein

(2014) Tomoko Abe et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Crystal structure analysis of EstA fromArthrobactersp. Rue61a - an insight into catalytic promiscuity

(2014) Ulrike Gabriella Wagner et al.   FEBS LETTERS

Binding of NAD+and l-Threonine Induces Stepwise Structural and Flexibility Changes inCupriavidus necatorl-Threonine Dehydrogenase

(2014) Shogo Nakano et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Identification and Characterization of Noncovalent Interactions That Drive Binding and Specificity in DD-Peptidases and β-Lactamases

(2014) Jacqueline C. Hargis et al.   Journal of Chemical Theory and Computation

Reconstructing a Missing Link in the Evolution of a Recently Diverged Phosphotriesterase by Active-Site Loop Remodeling

(2012) Livnat Afriat-Jurnou et al.   BIOCHEMISTRY

Comparative Molecular Dynamics Simulation Study of Crystal Environment Effect on Protein Structure

(2012) Tohru Terada et al.   JOURNAL OF PHYSICAL CHEMISTRY B

REFMAC5 for the refinement of macromolecular crystal structures

(2011) Garib N. Murshudov et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Fragmentation Methods: A Route to Accurate Calculations on Large Systems

(2011) Mark S. Gordon et al.   CHEMICAL REVIEWS

LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery

(2011) Roman A. Laskowski et al.   Journal of Chemical Information and Modeling

SignalP 4.0: discriminating signal peptides from transmembrane regions

(2011) Thomas Nordahl Petersen et al.   NATURE METHODS

Features and development ofCoot

(2010) P. Emsley et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Crystal Structures of Covalent Complexes of β-Lactam Antibiotics withEscherichia coliPenicillin-Binding Protein 5: Toward an Understanding of Antibiotic Specificity

(2010) George Nicola et al.   BIOCHEMISTRY

Structural Relationship between the Active Sites of β-Lactam-Recognizing and Amidase Signature Enzymes: Convergent Evolution?

(2010) R. F. Pratt et al.   BIOCHEMISTRY

Dali server: conservation mapping in 3D

(2010) Liisa Holm et al.   NUCLEIC ACIDS RESEARCH

Molecular replacement withMOLREP

(2009) Alexei Vagin et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Fragment molecular orbital calculation using the RI-MP2 method

(2009) Takeshi Ishikawa et al.   CHEMICAL PHYSICS LETTERS

D‐Amino Acid Specific Proteases and Native All‐L‐Proteins: A Convenient Combination for Semisynthesis

(2008) Nicole Wehofsky et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

ASEDock-Docking Based on Alpha Spheres and Excluded Volumes

(2008) Junichi Goto et al.   Journal of Chemical Information and Modeling

Investigation of the Mechanism of the Cell Walldd-Carboxypeptidase Reaction of Penicillin-Binding Protein 5 ofEscherichia coliby Quantum Mechanics/Molecular Mechanics Calculations

(2008) Qicun Shi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY