A. Shaikh

发表

Three-dimensional quantitative structure-activity relationship (3 D-QSAR) and docking studies on (benzothiazole-2-yl) acetonitrile derivatives as c-Jun N-terminal kinase-3 (JNK3) inhibitors.

C. Del Carpio, M. Koyama, H. Tsuboi, 2006, Bioorganic & medicinal chemistry letters.

Arginine–aromatic interactions and their effects on arginine‐induced solubilization of aromatic solutes and suppression of protein aggregation

Dhawal Shah, R. Rajagopalan, A. Shaikh, 2012, Biotechnology progress.

Effects of water concentration on the free volume of amino acid ionic liquids investigated by molecular dynamics simulations.

H. Takaba, E. Kamio, H. Matsuyama, 2015, The journal of physical chemistry. B.

Structural Insights in Mammalian Sialyltransferases and Fucosyltransferases: We Have Come a Long Way, but It Is Still a Long Way Down

L. Cavallo, R. Grewal, A. Shaikh, 2021, Molecules.

Near-White Light Emission from Lead(II) Metal-Organic Frameworks.

J. Vittal, A. M. P. Peedikakkal, W. Ji, 2018, Inorganic chemistry.

Effects of arginine on heat‐induced aggregation of concentrated protein solutions

Xinxia Peng, Dhawal Shah, R. Rajagopalan, 2011, Biotechnology progress.

A Saccharomyces cerevisiae Assay System to Investigate Ligand/AdipoR1 Interactions That Lead to Cellular Signaling

D. Yun, R. Bressan, M. Narasimhan, 2013, PloS one.

Oxidation mechanism in the metabolism of (S)-N-[1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylacrylamide on oxyferryl active site in CYP3A4 Cytochrome: DFT modeling

M. Koyama, H. Tsuboi, A. Endou, 2007, Journal of molecular modeling.

Hyperconjugation with lone pair of morpholine nitrogen stabilizes transition state for phenyl hydroxylation in CYP3A4 metabolism of (S)-N-[1-(3-morpholin-4-yl phenyl) ethyl]-3-phenylacrylamide

M. Koyama, H. Tsuboi, A. Miyamoto, 2006 .

Immunoinformatics Aided Design and In-Vivo Validation of a Cross-Reactive Peptide Based Multi-Epitope Vaccine Targeting Multiple Serotypes of Dengue Virus

L. R. Gupta, V. Kaushik, L. Cavallo, 2022, Frontiers in Immunology.

Fouling-Resistant and Self-Cleaning Aliphatic Polyketone Membrane for Sustainable Oil-Water Emulsion Separation.

Da-Ming Wang, H. Matsuyama, A. Shaikh, 2018, ACS applied materials & interfaces.

Dual Superlyophobic Aliphatic Polyketone Membranes for Highly Efficient Emulsified Oil-Water Separation: Performance and Mechanism.

Da-Ming Wang, H. Matsuyama, A. Shaikh, 2018, ACS applied materials & interfaces.

Preparation and characterization of ECTFE hollow fiber membranes via thermally induced phase separation (TIPS)

H. Matsuyama, E. Nicolò, A. Shaikh, 2016 .

Preparation and characterization of polyvinylidenedifluoride-co-chlorotrifluoroethylene hollow fiber membranes with high alkaline resistance

Da-Ming Wang, H. Matsuyama, A. Shaikh, 2018, Polymer.

Interaction of arginine, lysine, and guanidine with surface residues of lysozyme: implication to protein stability

Dhawal Shah, A. Shaikh, 2016, Journal of biomolecular structure & dynamics.

Combining Molecular Dynamics Simulation with a Graph Theoretical Approach to Study Protein Complex Flexibility

M. Koyama, H. Tsuboi, N. Hatakeyama, 2006 .

Synthesis, characterization, and miRNA-mediated PI3K suppressing activity of novel cisplatin-derived complexes of selenones

A. Isab, Ali R. Alhoshani, A. Shaikh, 2021, Arabian Journal of Chemistry.

Preparation of Amphotericin B-Ergosterol structures and molecular simulation of water adsorption and diffusion

T. Tsuru, H. Matsuyama, K. Nakagawa, 2018 .

Quantum chemical studies for oxidation of morpholine by Cytochrome P450.

C. Del Carpio, M. Koyama, H. Tsuboi, 2009, Journal of inorganic biochemistry.

Amino acid ionic liquids as potential candidates for CO2 capture: Combined density functional theory and molecular dynamics simulations

L. Cavallo, A. Poater, M. Ashraf, 2020, Chemical Physics Letters.

Effect of surface properties on antifouling performance of poly(vinyl chloride-co-poly(ethylene glycol)methyl ether methacrylate)/PVC blend membrane

H. Matsuyama, A. Shaikh, Saeid Rajabzadeh, 2016 .

Preparation and characterization of antifouling poly(vinyl chloride-co-poly(ethylene glycol)methyl ether methacrylate) membranes

H. Matsuyama, A. Shaikh, Saeid Rajabzadeh, 2016 .

Adsorption of Bovine Serum Albumin on Poly(vinylidene fluoride) Surfaces in the Presence of Ions: A Molecular Dynamics Simulation.

H. Takaba, Da-Ming Wang, H. Matsuyama, 2018, The journal of physical chemistry. B.

Effect of type of poly(ethylene glycol) (PEG) based amphiphilic copolymer on antifouling properties of copolymer/poly(vinylidene fluoride) (PVDF) blend membranes

H. Matsuyama, A. Shaikh, Saeid Rajabzadeh, 2016 .

Quantum Mechanical and Molecular Dynamics Simulations of Dual-Amino-Acid Ionic Liquids for CO2 Capture

E. Kamio, H. Matsuyama, T. Yoshioka, 2016 .

Effect of the amino-group densities of functionalized ionic liquids on the facilitated transport properties for CO2 separation

E. Kamio, H. Matsuyama, S. Kasahara, 2016 .

Replacing thymine with a strongly pairing fifth Base: A combined quantum mechanics and molecular dynamics study

L. Cavallo, R. Oliva, A. Shaikh, 2021, Computational and structural biotechnology journal.

Adsorption of industrial dyes on functionalized and nonfunctionalized asphaltene: A combined molecular dynamics and quantum mechanics study

M. Siddiqui, L. Cavallo, I. Abdulazeez, 2021 .

Synthesis, spectroscopic characterization and in vitro cytotoxic as well as docking studies of cis-diammine platinum(II) complexes of thiones

A. Isab, A. Al‐Saadi, J. Singh, 2019, Inorganica Chimica Acta.

Molecular mechanism of ATP hydrolysis in F1-ATPase revealed by molecular simulations and single-molecule observations.

Shigehiko Hayashi, Hiroyuki Noji, Yuko Ito, 2012, Journal of the American Chemical Society.

Hydration effects and antifouling properties of poly(vinyl chloride-co-PEGMA) membranes studied using molecular dynamics simulations

H. Takaba, H. Matsuyama, A. Shaikh, 2016 .

Does Metabolism of (S)-N-[1-(3-Morpholin-4-ylphenyl)ethyl]-3-phenylacrylamide Occur at the Morpholine Ring? Quantum Mechanical and Molecular Dynamics Studies

M. Koyama, H. Tsuboi, N. Hatakeyama, 2007 .

Dynamic and Structural Changes in the Minimally Restructuring EcoRI Bound to a Minimally Mutated DNA Chain

R. Rajagopalan, A. Shaikh, Vigneshwar Ramakrishnan, 2012, Journal of biomolecular structure & dynamics.

D936Y and Other Mutations in the Fusion Core of the SARS-CoV-2 Spike Protein Heptad Repeat 1: Frequency, Geographical Distribution, and Structural Effect

A. Vangone, L. Cavallo, R. Oliva, 2021, Molecules.

Blue and white-light emitting 2D-coordination polymers and their solid-state photodimerization reaction

A. Al‐Saadi, A. Shaikh, A. Jalilov, 2021, CrystEngComm.

Fouling-Resistant and Self-Cleaning Aliphatic Polyketone Membrane for Sustainable Oil-Water Emulsion Separation.

H. Matsuyama, A. Shaikh, Lei Zhang, 2018, ACS applied materials & interfaces.

Interaction of arginine, lysine, and guanidine with surface residues of lysozyme: implication to protein stability

Dhawal Shah, A. Shaikh, 2016, Journal of Biomolecular Structure and Dynamics.