Comparative molecular dynamics simulations identify a salt-sensitive loop responsible for the halotolerant activity of GH5 cellulases

Atomic and Electronic Structure Determinants Distinguish between Ethylene Formation and l-Arginine Hydroxylation Reaction Mechanisms in the Ethylene-Forming Enzyme

(2021) Shobhit S. Chaturvedi et al.   ACS Catalysis

Catalytic Mechanism of Human Ten-Eleven Translocation-2 (TET2) Enzyme: Effects of Conformational Changes, Electric Field, and Mutations

(2021) Sodiq O. Waheed et al.   ACS Catalysis

Structure of an ancestral ADP-dependent kinase with fructose-6P reveals key residues for binding, catalysis, and ligand-induced conformational changes

(2020) Sebastián M. Muñoz et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Semi-rational design and molecular dynamics simulations study of the thermostability enhancement of cellobiose 2-epimerases

(2019) Qiuming Chen et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Catalysis by the Non-Heme Iron(II) Histone Demethylase PHF8 Involves Iron Center Rearrangement and Conformational Modulation of Substrate Orientation

(2019) Shobhit S. Chaturvedi et al.   ACS Catalysis

How a multimeric macromolecule is affected by divalent salts? Experimental and simulation study

(2018) Fatemeh Janati-Fard et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Dynamic Perturbation of the Active Site Determines Reversible Thermal Inactivation in Glycoside Hydrolase Family 12

(2017) Xukai Jiang et al.   Journal of Chemical Information and Modeling

Molecular dynamics simulations of cellulase homologs in aqueous 1-ethyl-3-methylimidazolium chloride

(2016) Lucas B. Johnson et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Structural evidence for solvent-stabilisation by aspartic acid as a mechanism for halophilic protein stability in high salt concentrations

(2016) Samuel Lenton et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structural and dynamic evolution of the amphipathic N-terminus diversifies enzyme thermostability in the glycoside hydrolase family 12

(2016) Xukai Jiang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Diversity and industrial potential of hydrolase-producing halophilic/halotolerant eubacteria

(2016) Evodia Setati Mathabatha   AFRICAN JOURNAL OF BIOTECHNOLOGY

Biochemical and structural characterization of a novel halotolerant cellulase from soil metagenome

(2016) Roma Garg et al.   Scientific Reports

Halophilic Protein Adaptation Results from Synergistic Residue-Ion Interactions in the Folded and Unfolded States

(2015) Gabriel Ortega et al.   CHEMISTRY & BIOLOGY

The loop structure ofActinomyceteglycoside hydrolase family 5 mannanases governs substrate recognition

(2015) Yuya Kumagai et al.   FEBS Journal

Ionic liquid induced inactivation of cellobiohydrolase I from Trichoderma reesei

(2015) Weifeng Li et al.   GREEN CHEMISTRY

Molecular dynamics of the salt dependence of a cold-adapted enzyme: endonuclease I

(2015) D. Benrezkallah et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Rational engineering of a mesohalophilic carbonic anhydrase to an extreme halotolerant biocatalyst

(2015) Andrew C. Warden et al.   Nature Communications

Molecular bases of protein halotolerance

(2014) Giuseppe Graziano et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Improving Trichoderma reesei Cel7B Thermostability by Targeting the Weak Spots

(2014) Shujun Zhang et al.   Journal of Chemical Information and Modeling

How a protein can remain stable in a solvent with high content of urea: insights from molecular dynamics simulation of Candida antarctica lipase B in urea : choline chloride deep eutectic solvent

(2014) Hassan Monhemi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Heterologous expression and biochemical characterization of an endo-β-1,4-glucanase fromThermobifida fusca

(2013) Peng'an Yan et al.   BIOTECHNOLOGY AND APPLIED BIOCHEMISTRY

Engineering the third wave of biocatalysis

(2012) U. T. Bornscheuer et al.   NATURE

Structural adaptation of extreme halophilic proteins through decrease of conserved hydrophobic contact surface

(2011) Alessandro Siglioccolo et al.   BMC STRUCTURAL BIOLOGY

Quantification of Cellulase Activity Using the Quartz Crystal Microbalance Technique

(2009) Gang Hu et al.   ANALYTICAL CHEMISTRY

Structural Basis for the Aminoacid Composition of Proteins from Halophilic Archea

(2009) Xavier Tadeo et al.   PLOS BIOLOGY

Molecular signature of hypersaline adaptation: insights from genome and proteome composition of halophilic prokaryotes

(2008) Sandip Paul et al.   GENOME BIOLOGY