Interaction of metals from group 10 (Ni, Pd, and Pt) and 11 (Cu, Ag, and Au) with human blood δ-ALA-D: in vitro and in silico studies

Insights into the effect and interaction mechanism of bisphenol S on lipids hydrolysis in sludge through multi-spectra, thermodynamics, and molecule docking analysis

(2018) Hang Yang et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

Identification of potential aryl hydrocarbon receptor ligands by virtual screening of industrial chemicals

(2017) Malin Larsson et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

Toxic metals in tissues of fishes from the Black Sea and associated human health risk exposure

(2017) Gabriel Plavan et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

In Silico Studies of Mammalian δ-ALAD Interactions with Selenides and Selenoxides

(2017) Pablo Andrei Nogara et al.   Molecular Informatics

Recent advances in production of 5-aminolevulinic acid using biological strategies

(2017) Zhen Kang et al.   WORLD JOURNAL OF MICROBIOLOGY & BIOTECHNOLOGY

Computational protein–ligand docking and virtual drug screening with the AutoDock suite

(2016) Stefano Forli et al.   Nature Protocols

Enantioselective endocrine disrupting effects of omeprazole studied in the H295R cell assay and by molecular modeling

(2016) Amalie Møller Sørensen et al.   TOXICOLOGY IN VITRO

Inhibition of ferric ion to oxalate oxidase shed light on the substrate binding site

(2015) Yu Pang et al.   BIOMETALS

Screening of bisphenol A, triclosan and paraben analogues as modulators of the glucocorticoid and androgen receptor activities

(2015) Katra Kolšek et al.   TOXICOLOGY IN VITRO

Evidences for structural basis of altered ascorbate peroxidase activity in cadmium-stressed rice plants exposed to jasmonate

(2014) Indra Singh et al.   BIOMETALS

Investigation on the Effect of Key Water Molecules on Docking Performance in CSARdock Exercise

(2013) Ashutosh Kumar et al.   Journal of Chemical Information and Modeling

Electrostatically Embedded Molecular Tailoring Approach and Validation for Peptides

(2013) Miho Isegawa et al.   Journal of Chemical Theory and Computation

Towards Ligand Docking Including Explicit Interface Water Molecules

(2013) Gordon Lemmon et al.   PLoS One

Effect of redox treatments on activation and deactivation of gold nanospecies supported on mesoporous silica in CO oxidation

(2012) N. Bogdanchikova et al.   FUEL

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

Aminolevulinate dehydratase (δ-ALA-D) as marker protein of intoxication with metals and other pro-oxidant situations

(2012) Joao B. T. Rocha et al.   Toxicology Research

Molecular Docking with Ligand Attached Water Molecules

(2011) Mette A. Lie et al.   Journal of Chemical Information and Modeling

Copper-catalyzed direct thiolation of azoles with aliphatic thiols

(2011) An-Xi Zhou et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Advances and Challenges in Protein-Ligand Docking

(2010) Sheng-You Huang et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Docking Ligands into Flexible and Solvated Macromolecules. 3. Impact of Input Ligand Conformation, Protein Flexibility, and Water Molecules on the Accuracy of Docking Programs

(2009) Christopher R. Corbeil et al.   Journal of Chemical Information and Modeling

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

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY