Structure prediction and functional analyses of a thermostable lipase obtained from Shewanella putrefaciens

Large scale analysis of the mutational landscape in β-glucuronidase: A major player of mucopolysaccharidosis type VII

(2016) Faez Iqbal Khan et al.   GENE

Current updates on computer aided protein modeling and designing

(2016) Faez Iqbal Khan et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Probing pH sensitivity of αC-phycoerythrin and its natural truncant: A comparative study

(2016) Khalid Anwer et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Trehalose induces functionally active conformation in the intrinsically disordered N-terminal domain of glucocorticoid receptor

(2016) Shagufta H. Khan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

QSAR models and scaffold-based analysis of non-nucleoside HIV RT inhibitors

(2015) Bilal Nizami et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Chitinase from Thermomyces lanuginosus SSBP and its biotechnological applications

(2015) Faez Iqbal Khan et al.   EXTREMOPHILES

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field

(2015) Jumin Lee et al.   Journal of Chemical Theory and Computation

Thermostable chitinase II from Thermomyces lanuginosus SSBP: Cloning, structure prediction and molecular dynamics simulations

(2015) Faez Iqbal Khan et al.   JOURNAL OF THEORETICAL BIOLOGY

Systematic evaluation of bundled SPC water for biomolecular simulations

(2015) Srinivasa M. Gopal et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Production of Thermostable Lipase by Thermomyces lanuginosus on Solid-State Fermentation: Selective Hydrolysis of Sardine Oil

(2014) Nayeli Ávila-Cisneros et al.   APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY

Comment on “Complex disruption effect of natural polyphenols on Bcl-2-Bax: molecular dynamics simulation and essential dynamics study” by S. Verma, A. Singh and A. Mishra

(2014) Anselm H.C. Horn   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Creation of thermostable and alkaline stable xylanase variants by DNA shuffling

(2014) Dawn Elizabeth Stephens et al.   JOURNAL OF BIOTECHNOLOGY

Lipid14: The Amber Lipid Force Field

(2014) Callum J. Dickson et al.   Journal of Chemical Theory and Computation

Molecular cloning and characterization of a thermostable lipase from deep-sea thermophile Geobacillus sp. EPT9

(2014) Yanbing Zhu et al.   WORLD JOURNAL OF MICROBIOLOGY & BIOTECHNOLOGY

A halotolerant thermostable lipase from the marine bacteriumOceanobacillussp. PUMB02 with an ability to disrupt bacterial biofilms

(2014) George Seghal Kiran et al.   Bioengineered

Thermostable lipase fromGeobacillussp. Iso5: Bioseparation, characterization and native structural studies

(2013) Gurumurthy D. Mahadevan et al.   JOURNAL OF BASIC MICROBIOLOGY

Role of N-terminal residues on folding and stability of C-phycoerythrin: simulation and urea-induced denaturation studies

(2013) Khalid Anwer et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

PDBsum additions

(2013) Tjaart A. P. de Beer et al.   NUCLEIC ACIDS RESEARCH

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born

(2012) Andreas W. Götz et al.   Journal of Chemical Theory and Computation

Understanding protein unfolding from molecular simulations

(2012) Rudesh D. Toofanny et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Influence of pK a Shifts on the Calculated Dipole Moments of Proteins

(2011) Brett L. Mellor et al.   PROTEIN JOURNAL

Determination of Ensemble-Average Pairwise Root Mean-Square Deviation from Experimental B-Factors

(2010) Antonija Kuzmanic et al.   BIOPHYSICAL JOURNAL

Virtual screening with AutoDock: theory and practice

(2010) Sandro Cosconati et al.   Expert Opinion on Drug Discovery

I-TASSER: a unified platform for automated protein structure and function prediction

(2010) Ambrish Roy et al.   Nature Protocols

On the pH-optimum of activity and stability of proteins

(2010) Kemper Talley et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Improved side-chain torsion potentials for the Amber ff99SB protein force field

(2010) Kresten Lindorff-Larsen et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

A Review on Microbial Lipases Production

(2009) Helen Treichel et al.   Food and Bioprocess Technology

An Implementation of the Smooth Particle Mesh Ewald Method on GPU Hardware

(2009) M. J. Harvey et al.   Journal of Chemical Theory and Computation

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

(2009) Oleg Trott et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

(2009) K. Vanommeslaeghe et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Biodiesel production from sunflower, soybean, and waste cooking oils by transesterification using lipase immobilized onto a novel microporous polymer

(2008) Nadir Dizge et al.   BIORESOURCE TECHNOLOGY

A fast and accurate computational approach to protein ionization

(2008) Velin Z. Spassov et al.   PROTEIN SCIENCE