Search Results - "Hassan Khatami, Mohammad"
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Gate-based quantum computing for protein design
Published in PLoS computational biology (12-04-2023)“…Protein design is a technique to engineer proteins by permuting amino acids in the sequence to obtain novel functionalities. However, exploring all possible…”
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Using geometric criteria to study helix-like structures produced in molecular dynamics simulations of single amylose chains in water
Published in RSC advances (24-03-2021)“…Amylose is a linear polymer chain of α- d -glucose units connected through α(1 → 4) glycosidic bonds. Experimental studies show that in non-polar solvents,…”
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Molecular dynamics simulations of histidine-containing cod antimicrobial peptide paralogs in self-assembled bilayers
Published in Biochimica et biophysica acta. Biomembranes (01-11-2014)“…Gaduscidin-1 and -2 (GAD-1 and GAD-2) are antimicrobial peptides (AMPs) that contain several histidine residues and are thus expected to exhibit pH-dependent…”
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Molecular Characterization of Binding Loop E in the Nematode Cys-Loop GABA Receptor
Published in Molecular pharmacology (01-11-2018)“…Nematodes exhibit a vast array of cys-loop ligand-gated ion channels with unique pharmacologic characteristics. However, many of the structural components that…”
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All-Atom Molecular Dynamics Simulations of Dimeric Lung Surfactant Protein B in Lipid Multilayers
Published in International journal of molecular sciences (08-08-2019)“…Although lung surfactant protein B (SP-B) is an essential protein that plays a crucial role in breathing, the details of its structure and mechanism are not…”
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A mutational and molecular dynamics study of the cys-loop GABA receptor Hco-UNC-49 from Haemonchus contortus: Agonist recognition in the nematode GABA receptor family
Published in International journal for parasitology -- drugs and drug resistance (01-12-2018)“…The UNC-49 receptor is a unique nematode γ-aminobutyric acid (GABA)-gated chloride channel that may prove to be a novel target for the development of…”
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Gate-based Quantum Computing for Protein Design
Published 22-11-2022“…Protein design is a technique to engineer proteins by modifying their sequence to obtain novel functionalities. In this method, amino acids in the sequence are…”
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Conjugating Ligands to an Equilibrated Nanoparticle Protein Corona Enables Cell Targeting in Serum
Published in Chemistry of materials (09-08-2022)“…Targeting ligands are conjugated onto nanoparticles to increase their selectivity for diseased cells. However, they become covered by serum proteins which…”
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All-atom molecular dynamics simulations of lung surfactant protein B: Structural features of SP-B promote lipid reorganization
Published in Biochimica et biophysica acta (01-12-2016)“…Lung surfactant protein B (SP-B), a 79 residue, hydrophobic protein from the saposin superfamily, plays an essential role in breathing. Because of the extreme…”
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Characterization of adjacent charged residues near the agonist binding site of the nematode UNC-49 GABA receptor
Published in Molecular and biochemical parasitology (01-11-2022)“…The UNC-49 receptor is a Cys-loop GABA receptor that is unique to the nematode phylum. The receptor differs from mammalian GABA receptors both in amino acid…”
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Experimental and Computational Studies of Pulmonary Surfactant Protein SP-B Interacting with Lipid Bilayers
Published in Biophysical journal (27-01-2015)Get full text
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Two-dimensional 67 Zn HYSCORE spectroscopy reveals that a Zn-bacteriochlorophyll a P ' dimer is the primary donor (P 840 ) in the type-1 reaction centers of Chloracidobacterium thermophilum
Published in Physical chemistry chemical physics : PCCP (18-03-2020)“…Chloracidobacterium (C.) thermophilum is a microaerophilic, chlorophototrophic species in the phylum Acidobacteria that uses homodimeric type-1 reaction…”
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All-Atom Molecular Dynamic Simulations of Pulmonary Surfactant Protein Sp-B Interacting with Lipid Bilayers
Published in Biophysical journal (28-01-2014)Get full text
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Molecular Dynamics Simulations of Cod Antimicrobial Peptide Paralogs in Self-Assembled Bilayers
Published in Biophysical journal (29-01-2013)Get full text
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