Molecular docking and molecular dynamics simulations of a mutant Acinetobacter haemolyticus alkaline-stable lipase against tributyrin

Molecular mechanism of acetoacetyl-CoA enhanced kinetics for increased bioplastic production from Cupriavidus necator 428

(2019) Aditi Singh et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Changes of Thermostability, Organic Solvent, and pH Stability in Geobacillus zalihae HT1 and Its Mutant by Calcium Ion

(2019) Siti Nor Hasmah Ishak et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Structural, functional, and stability change predictions in human telomerase upon specific point mutations

(2019) U. Kalathiya et al.   Scientific Reports

In silico mutation on a mutant lipase from Acinetobacter haemolyticus towards enhancing alkaline stability

(2019) Nurul Fatin Syamimi Khairul Anuar et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Biophysical Characterization of a Recombinant Lipase KV1 from Acinetobacter haemolyticus in Relation to pH and Temperature

(2018) Kalaivani Batumalaie et al.   BIOCHIMIE

Molecular dynamics simulations revealed structural differences among WRKY domain-DNA interaction in barley (Hordeum vulgare)

(2018) Bharati Pandey et al.   BMC GENOMICS

Statistical optimization and operational stability of Rhizomucor miehei lipase supported on magnetic chitosan/chitin nanoparticles for synthesis of pentyl valerate

(2018) Ida Nurhazwani Abdul Rahman et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Unraveling the Molecular Mechanism of Benzothiophene and Benzofuran scaffold merged compounds binding to anti-apoptotic Myeloid cell leukemia 1

(2018) Parthiban Marimuthu et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Insight into the Rhizomucor miehei lipase supported on chitosan-chitin nanowhiskers assisted esterification of eugenol to eugenyl benzoate

(2018) Fatin Myra Abd Manan et al.   JOURNAL OF BIOTECHNOLOGY

Detergent Compatible Extracellular Lipase from Streptomyces cellulosae AU-10: A Green Alternative for the Detergent Industry

(2018) Rukiye Boran   JOURNAL OF SURFACTANTS AND DETERGENTS

Enzymatic synthesis of butyl butyrate by Candida rugosa lipase supported on magnetized-nanosilica from oil palm leaves: Process optimization, kinetic and thermodynamic study

(2018) Emmanuel Onoja et al.   Journal of the Taiwan Institute of Chemical Engineers

Rhizomucor miehei lipase immobilized on reinforced chitosan–chitin nanowhiskers support for synthesis of eugenyl benzoate

(2018) Fatin Myra Abdul Manan et al.   PREPARATIVE BIOCHEMISTRY & BIOTECHNOLOGY

Structural flexibility and protein adaptation to temperature: Molecular dynamics analysis of malate dehydrogenases of marine molluscs

(2018) Yun-wei Dong et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Extraction of nanosilica from oil palm leaves and its application as support for lipase immobilization

(2018) Emmanuel Onoja et al.   JOURNAL OF BIOTECHNOLOGY

Insights into the Molecular Mechanisms of Protein-Ligand Interactions by Molecular Docking and Molecular Dynamics Simulation: A Case of Oligopeptide Binding Protein

(2018) Yi Fu et al.   Computational and Mathematical Methods in Medicine

In silico mutagenesis: decreasing the immunogenicity of botulinum toxin type A

(2018) Stanley Evander Emeltan Tjoa et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

In silico and empirical approaches toward understanding the structural adaptation of the alkaline-stable lipase KV1 from Acinetobacter haemolyticus

(2017) Kalaivani Batumalaie et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Inhibition mechanism of CDK-2 and GSK-3β by a sulfamoylphenyl derivative of indoline—a molecular dynamics study

(2017) Przemysław Czeleń   JOURNAL OF MOLECULAR MODELING

The Effects of One Amino Acid Substitutions at the C-Terminal Region of Thermostable L2 Lipase by Computational and Experimental Approach

(2017) Hartini Ahmad Sani et al.   MOLECULAR BIOTECHNOLOGY

Computational analysis revealing that K634 and T681 mutations modulate the 3D-structure of PDGFR-β and lead to sunitinib resistance

(2017) Vishal Nemaysh et al.   RSC Advances

Enhancing activity and thermostability of lipase A from Serratia marcescens by site-directed mutagenesis

(2016) Mohsen Mohammadi et al.   ENZYME AND MICROBIAL TECHNOLOGY

Facile modulation of enantioselectivity of thermophilic Geobacillus zalihae lipase by regulating hydrophobicity of its Q114 oxyanion

(2016) Roswanira Abdul Wahab et al.   ENZYME AND MICROBIAL TECHNOLOGY

Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power

(2016) Zhe Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Synthesis of geranyl propionate in a solvent-free medium using Rhizomucor miehei lipase covalently immobilized on chitosan–graphene oxide beads

(2016) Abdurrahman Adamu Isah et al.   PREPARATIVE BIOCHEMISTRY & BIOTECHNOLOGY

Regulation of protein-ligand binding affinity by hydrogen bond pairing

(2016) D. Chen et al.   Science Advances

Response surface methodological approach for optimizing production of geranyl propionate catalysed by carbon nanotubes nanobioconjugates

(2015) NurRoyhaila Mohamad et al.   BIOTECHNOLOGY & BIOTECHNOLOGICAL EQUIPMENT

Development of a catalytically stable and efficient lipase through an increase in hydrophobicity of the oxyanion residue

(2015) Roswanira Abdul Wahab et al.   JOURNAL OF MOLECULAR CATALYSIS B-ENZYMATIC

Structural features determining thermal adaptation of esterases

(2015) Filip Kovacic et al.   PROTEIN ENGINEERING DESIGN & SELECTION

Ligand-Based and Structure-Based Investigation for Alzheimer’s Disease from Traditional Chinese Medicine

(2014) Kai Hsin Liao et al.   Evidence-based Complementary and Alternative Medicine

g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

(2014) Rashmi Kumari et al.   Journal of Chemical Information and Modeling

Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies

(2014) Katarzyna B. Koziara et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Unscrambling the Effect of C-Terminal Tail Deletion on the Stability of a Cold-Adapted, Organic Solvent Stable Lipase from Staphylococcus epidermidis AT2

(2014) Nor Hafizah Ahmad Kamarudin et al.   MOLECULAR BIOTECHNOLOGY

Enzyme activity in liquid lipase melts as a step towards solvent-free biology at 150 °C

(2014) Alex P. S. Brogan et al.   Nature Communications

Consensus Docking: Improving the Reliability of Docking in a Virtual Screening Context

(2013) Douglas R. Houston et al.   Journal of Chemical Information and Modeling

Docking Challenge: Protein Sampling and Molecular Docking Performance

(2013) Khaled M. Elokely et al.   Journal of Chemical Information and Modeling

An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0

(2011) Alpeshkumar K. Malde et al.   Journal of Chemical Theory and Computation

Radius of gyration as an indicator of protein structure compactness

(2008) M. Yu. Lobanov et al.   MOLECULAR BIOLOGY

Molecular dynamics simulation studies on Ca2+-induced conformational changes of annexin I

(2008) R. D. Shesham et al.   PROTEIN ENGINEERING DESIGN & SELECTION

Principles of flexible protein-protein docking

(2008) Nelly Andrusier et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS