Electrostatic fingerprints of catalytically active amino acids in enzymes

Amino acid interactions that facilitate enzyme catalysis

(2021) Timothy A. Coulther et al.   JOURNAL OF CHEMICAL PHYSICS

How the Local Environment of Functional Sites Regulates Protein Function

(2020) Karine Mazmanian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Novel N-substituted 5-phosphate-d-arabinonamide derivatives as strong inhibitors of phosphoglucose isomerases: Synthesis, structure-activity relationship and crystallographic studies

(2020) Lama Ahmad et al.   BIOORGANIC CHEMISTRY

1-Aminocyclopropane 1-Carboxylic Acid and Its Emerging Role as an Ethylene-Independent Growth Regulator

(2019) Joanna K. Polko et al.   Frontiers in Plant Science

A Biophysical Perspective on Enzyme Catalysis

(2018) Pratul K. Agarwal   BIOCHEMISTRY

Mechanism and Catalytic Site Atlas (M-CSA): a database of enzyme reaction mechanisms and active sites

(2017) António J M Ribeiro et al.   NUCLEIC ACIDS RESEARCH

Prediction of distal residue participation in enzyme catalysis

(2015) Heather R. Brodkin et al.   PROTEIN SCIENCE

Human HAD phosphatases: structure, mechanism, and roles in health and disease

(2012) Annegrit Seifried et al.   FEBS Journal

Mechanistic and Conformational Flexibility of the Covalent Linkage Formed during β-Lyase Activity on an AP-Site: Application to hOgg1

(2012) Jennifer L. Kellie et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase fromPseudomonas putida

(2011) Heather R. Brodkin et al.   BIOCHEMISTRY

A Tale of Two Isomerases: Compact versus Extended Active Sites in Ketosteroid Isomerase and Phosphoglucose Isomerase

(2011) Srinivas Somarowthu et al.   BIOCHEMISTRY

High-performance prediction of functional residues in proteins with machine learning and computed input features

(2011) Srinivas Somarowthu et al.   BIOPOLYMERS

Improving physical realism, stereochemistry, and side-chain accuracy in homology modeling: Four approaches that performed well in CASP8

(2009) Elmar Krieger et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

The Human SepSecS-tRNASec Complex Reveals the Mechanism of Selenocysteine Formation

(2009) S. Palioura et al.   SCIENCE

Partial Order Optimum Likelihood (POOL): Maximum Likelihood Prediction of Protein Active Site Residues Using 3D Structure and Sequence Properties

(2009) Wenxu Tong et al.   PLoS Computational Biology

Determination of Electrostatic Interaction Energies and Protonation State Populations in Enzyme Active Sites

(2007) Chresten R. Søndergaard et al.   JOURNAL OF MOLECULAR BIOLOGY