Search Results - "Hakim, M A"
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Analysis of Updated Literature Data up to 2019 on the Oxidative Coupling of Methane Using an Extrapolative Machine‐Learning Method to Identify Novel Catalysts
Published in ChemCatChem (20-08-2021)“…We have constructed and analyzed an updated dataset consisting of 4759 experimental datapoints for the oxidative coupling of methane (OCM) reaction based on…”
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Reverse Water-Gas Shift Reaction via Redox of Re Nanoclusters Supported on TiO2
Published in Chemistry letters (01-01-2021)“…A Re catalyst supported on TiO2 (Re/TiO2) promoted the reverse water-gas shift (RWGS) reaction, exhibiting high selectivity toward CO. Operando X-ray…”
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Secondary structure specific simpler prediction models for protein backbone angles
Published in BMC bioinformatics (04-01-2022)“…Protein backbone angle prediction has achieved significant accuracy improvement with the development of deep learning methods. Usually the same deep learning…”
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Sustainable Heterogeneous Platinum Catalyst for Direct Methylation of Secondary Amines by Carbon Dioxide and Hydrogen
Published in Chemistry : a European journal (19-05-2014)“…Pt and MoOx co‐loaded TiO2 is found to be highly effective for direct methylation of aliphatic and aromatic secondary amines by CO2 and H2 under solvent‐free…”
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Preface to the Special Issue on Hydrogen Production, Storage, Application, and Sensing
Published in Chemistry, an Asian journal (19-08-2024)“…This issue focuses on the multifaceted nature of hydrogen, exploring the latest research, advancements, and applications in this rapidly evolving field. Topics…”
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Enhancing protein inter-residue real distance prediction by scrutinising deep learning models
Published in Scientific reports (17-01-2022)“…Protein structure prediction (PSP) has achieved significant progress lately via prediction of inter-residue distances using deep learning models and…”
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Origin of Nb2O5 Lewis Acid Catalysis for Activation of Carboxylic Acids in the Presence of a Hard Base
Published in Chemphyschem (05-11-2018)“…The Nb2O5 surface catalyzes the amidation of carboxylic acids with amines through Nb5+ Lewis acid activation of the C=O group. In this work, DFT calculations…”
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Lewis Acid Catalysis of Nb2O5 for Reactions of Carboxylic Acid Derivatives in the Presence of Basic Inhibitors
Published in ChemCatChem (09-01-2019)“…This review focuses on catalytic applications of niobium pentoxide (Nb2O5) and niobic acid (Nb2O5 ⋅ nH2O). These materials serve as heterogeneous acid…”
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Ensembling methods for protein-ligand binding affinity prediction
Published in Scientific reports (18-10-2024)“…Protein-ligand binding affinity prediction is a key element of computer-aided drug discovery. Most of the existing deep learning methods for protein-ligand…”
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A scatter search algorithm for time-dependent prize-collecting arc routing problems
Published in Computers & operations research (01-10-2021)“…•Studying the prize-collecting arc routing problems (PARPs) with real-time scenarios.•Proposing constructive heuristics and metaheuristic algorithm to solve…”
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The Catalytic Reduction of Carboxylic Acid Derivatives and CO2 by Metal Nanoparticles on Lewis‐Acidic Supports
Published in Chemical record (01-10-2018)“…The development of heterogeneous catalysts for green chemical synthesis is currently a growing area in catalysis and sustainable chemistry. Especially the use…”
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Thin Film Polycrystalline Silicon Nanowire Biosensors
Published in Nano letters (11-04-2012)“…Polysilicon nanowire biosensors have been fabricated using a top-down process and were used to determine the binding constant of two inflammatory biomarkers. A…”
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Scatter search for mixed blocking flowshop scheduling
Published in Expert systems with applications (15-08-2017)“…•A scatter search algorithm for mixed blocking permutation flowshop scheduling.•A new and effective NEH-based heuristic is used in initial solution…”
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Author Correction: Enhancing protein backbone angle prediction by using simpler models of deep neural networks
Published in Scientific reports (06-09-2021)Get full text
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Role of Ba in an Al2O3‐Supported Pd‐based Catalyst under Practical Three‐Way Catalysis Conditions
Published in ChemCatChem (22-04-2022)“…Barium (Ba) has been widely and successfully added to three‐way catalysts to effectively control gasoline vehicle emissions. While the introduction of Ba is…”
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Direct Phenolysis Reactions of Unactivated Amides into Phenolic Esters Promoted by a Heterogeneous CeO2 Catalyst
Published in Chemistry : a European journal (09-08-2019)“…The direct catalytic esterification of amides that leads to the construction of C−O bonds through the cleavage of amide C−N bonds is a highly attractive…”
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Constraint Guided Neighbor Generation for Protein Structure Prediction
Published in IEEE access (2022)“…Protein structure prediction (PSP) is essential for drug discovery. PSP involves minimising an unknown scoring function over an astronomical search space. PSP…”
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Versatile and Sustainable Synthesis of Cyclic Imides from Dicarboxylic Acids and Amines by Nb2O5 as a Base-Tolerant Heterogeneous Lewis Acid Catalyst
Published in Chemistry : a European journal (27-10-2014)“…Catalytic condensation of dicarboxylics acid and amines without excess amount of activating reagents is the most atom‐efficient but unprecedented synthetic…”
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Distance plus attention for binding affinity prediction
Published in Journal of cheminformatics (12-05-2024)“…Protein-ligand binding affinity plays a pivotal role in drug development, particularly in identifying potential ligands for target disease-related proteins…”
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