Molecular modeling

Metalloantibiotic Mn(II)–bacitracin complex mimicking manganese superoxide dismutase

Manganese / Molecular modeling / Transition-Metal Oxides / Copper / Animals / Cobalt / Biochemical / Nickel / Superoxide Dismutase / Cattle / Biomimetic materials / Microbial Sensitivity Tests / Bovine Serum Albumin / Antibiotic Susceptibility / Edetic Acid / Biochemistry and cell biology / Cobalt / Biochemical / Nickel / Superoxide Dismutase / Cattle / Biomimetic materials / Microbial Sensitivity Tests / Bovine Serum Albumin / Antibiotic Susceptibility / Edetic Acid / Biochemistry and cell biology

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Position dependence of non-polar amino acid intrinsic helical propensities1

Algorithms / Molecular Biology / Statistical Analysis / Stability / Molecular modeling / Entropy / Molecular / Circular Dichroism / Peptides / Protein structure / Van Der Waals / Amino Acids / Secondary Structure / Protein Secondary Structure Prediction / Folding / Methionine / Model System / Amino Acid Profile / Glycine / Energy Transfer / Amino Acid Sequence / Force Field Analysis / Biochemistry and cell biology / Molecular Sequence Data / Entropy / Molecular / Circular Dichroism / Peptides / Protein structure / Van Der Waals / Amino Acids / Secondary Structure / Protein Secondary Structure Prediction / Folding / Methionine / Model System / Amino Acid Profile / Glycine / Energy Transfer / Amino Acid Sequence / Force Field Analysis / Biochemistry and cell biology / Molecular Sequence Data

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The Si–H–B complex in p-type porous silicon: a theoretical approach

Materials Engineering / Condensed Matter Physics / Nanotechnology / Molecular modeling / Porous Silicon

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N-terminal amphipathic helix as a trigger of hemolytic activity in antimicrobial peptides: A case study in latarcins

Biochemistry / Microbiology / Immunology / Molecular Biology / Computational Biology / Protein Engineering / Molecular modeling / Mutation / EC / Case Study / Animals / Antimicrobial Peptide / AMPs / Antimicrobial Cationic Peptides / Protein Secondary Structure Prediction / Cytotoxic Activity / Ec / Amino Acid Sequence / In Silico / Biochemistry and cell biology / Hemolysis / Proof of Concept / Protein Engineering / Molecular modeling / Mutation / EC / Case Study / Animals / Antimicrobial Peptide / AMPs / Antimicrobial Cationic Peptides / Protein Secondary Structure Prediction / Cytotoxic Activity / Ec / Amino Acid Sequence / In Silico / Biochemistry and cell biology / Hemolysis / Proof of Concept

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Human immunodeficiency virus type 1 Vpr: oligomerization is an essential feature for its incorporation into virus particles

Microbiology / Medical Microbiology / Virology / Molecular modeling / HIV / Higher Order Thinking / Cell line / Humans / Sequence alignment / Human immunodeficiency virus / Amino Acid Profile / Molecular Conformation / Amino Acid Sequence / Virus infection / Intermolecular Interaction / Site-directed Mutagenesis / Higher Order Thinking / Cell line / Humans / Sequence alignment / Human immunodeficiency virus / Amino Acid Profile / Molecular Conformation / Amino Acid Sequence / Virus infection / Intermolecular Interaction / Site-directed Mutagenesis

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Novel antimicrobial peptides derived from human immunodeficiency virus type 1 and other lentivirus transmembrane proteins

Genetics / Microbiology / Medical Microbiology / Molecular modeling / HIV / Humans / Infectious Disease / Gram Positive / Peptides / Structure Analysis / Antimicrobial Peptide / Protein Sequence Analysis / Human immunodeficiency virus / Spectrum / Gram-negative bacteria / Anti-Bacterial Agents / Secondary Structure / Calmodulin / Antimicrobial agents / Microbial Sensitivity Tests / Amino Acid Profile / Simian Immunodeficiency Virus / Amino Acid Sequence / Antimicrobial photodynamic therapy / Functional Properties / Host Defense / Humans / Infectious Disease / Gram Positive / Peptides / Structure Analysis / Antimicrobial Peptide / Protein Sequence Analysis / Human immunodeficiency virus / Spectrum / Gram-negative bacteria / Anti-Bacterial Agents / Secondary Structure / Calmodulin / Antimicrobial agents / Microbial Sensitivity Tests / Amino Acid Profile / Simian Immunodeficiency Virus / Amino Acid Sequence / Antimicrobial photodynamic therapy / Functional Properties / Host Defense

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Novel Antimicrobial Peptides Derived from Human Immunodeficiency Virus Type 1 and Other Lentivirus Transmembrane Proteins

Genetics / Microbiology / Medical Microbiology / Molecular modeling / HIV / Humans / Infectious Disease / Gram Positive / Peptides / Structure Analysis / Antimicrobial Peptide / Protein Sequence Analysis / Human immunodeficiency virus / Spectrum / Gram-negative bacteria / Anti-Bacterial Agents / Secondary Structure / Calmodulin / Antimicrobial agents / Microbial Sensitivity Tests / Amino Acid Profile / Simian Immunodeficiency Virus / Amino Acid Sequence / Antimicrobial photodynamic therapy / Functional Properties / Host Defense / Humans / Infectious Disease / Gram Positive / Peptides / Structure Analysis / Antimicrobial Peptide / Protein Sequence Analysis / Human immunodeficiency virus / Spectrum / Gram-negative bacteria / Anti-Bacterial Agents / Secondary Structure / Calmodulin / Antimicrobial agents / Microbial Sensitivity Tests / Amino Acid Profile / Simian Immunodeficiency Virus / Amino Acid Sequence / Antimicrobial photodynamic therapy / Functional Properties / Host Defense

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Modeling bacterial quorum sensing in open and closed environments: potential discrepancies between agar plate and culture flask experiments

Molecular modeling / THEORETICAL AND COMPUTATIONAL CHEMISTRY

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Novel 4-thiazolidinone derivatives as potential antifungal and antibacterial drugs

Organic Chemistry / Fungi / Molecular modeling / Bacteria / Antifungal Activity / Structure Elucidation / Anti-Bacterial Agents / Antifungal Agents / Microbial Sensitivity Tests / Bioorganic and medicinal Chemistry / Thiazoles / Structure activity Relationship / Isomerism / Structure Elucidation / Anti-Bacterial Agents / Antifungal Agents / Microbial Sensitivity Tests / Bioorganic and medicinal Chemistry / Thiazoles / Structure activity Relationship / Isomerism

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La modelización molecular como herramienta para el diseño de nuevos polímeros conductores

Quantum Chemistry / Molecular modeling / Conducting Polymer / Electronic properties / Structural Change / Electronic Structure / Polímeros / Molecular Structure / Electronic Structure / Polímeros / Molecular Structure

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Metalloantibiotic Mn(II)–bacitracin complex mimicking manganese superoxide dismutase

Manganese / Molecular modeling / Transition-Metal Oxides / Copper / Animals / Cobalt / Biochemical / Nickel / Superoxide Dismutase / Cattle / Biomimetic materials / Microbial Sensitivity Tests / Bovine Serum Albumin / Antibiotic Susceptibility / Edetic Acid / Biochemistry and cell biology / Cobalt / Biochemical / Nickel / Superoxide Dismutase / Cattle / Biomimetic materials / Microbial Sensitivity Tests / Bovine Serum Albumin / Antibiotic Susceptibility / Edetic Acid / Biochemistry and cell biology

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Metalloantibiotic Mn(II)–bacitracin complex mimicking manganese superoxide dismutase

Manganese / Molecular modeling / Transition-Metal Oxides / Copper / Animals / Cobalt / Biochemical / Nickel / Superoxide Dismutase / Cattle / Biomimetic materials / Microbial Sensitivity Tests / Bovine Serum Albumin / Antibiotic Susceptibility / Edetic Acid / Biochemistry and cell biology / Cobalt / Biochemical / Nickel / Superoxide Dismutase / Cattle / Biomimetic materials / Microbial Sensitivity Tests / Bovine Serum Albumin / Antibiotic Susceptibility / Edetic Acid / Biochemistry and cell biology

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Interaction of a C-terminal peptide of Bos taurus diacylglycerol acyltransferase 1 with model membranes

Chemical Engineering / Molecular modeling / Biological Sciences / Circular Dichroism / Animals / Physical sciences / Liposomes / Cattle / Protein Conformation / Bos Taurus / Langmuir Monolayer / Diglycerides / Conformational Change / Biochemistry and cell biology / Physical sciences / Liposomes / Cattle / Protein Conformation / Bos Taurus / Langmuir Monolayer / Diglycerides / Conformational Change / Biochemistry and cell biology

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Busulfan loading into poly(alkyl cyanoacrylate) nanoparticles: Physico-chemistry and molecular modeling

Biomedical Engineering / Nanoparticles / Nanotechnology / Molecular modeling / Drug Delivery Systems

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Mutagenesis of Specific Amino Acids Converts Carnitine Acetyltransferase into Carnitine Palmitoyltransferase †

Biochemistry / Kinetics / Molecular modeling / Animals / Amino Acids / Radiometry / Rats / Substrate Specificity / Amino Acid Profile / Amino Acid Sequence / In Silico / Amino Acid Substitution Rates / Fluorometry / Biochemistry and cell biology / Radiometry / Rats / Substrate Specificity / Amino Acid Profile / Amino Acid Sequence / In Silico / Amino Acid Substitution Rates / Fluorometry / Biochemistry and cell biology

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Computational study of metathesis degradation of rubber, 1. Distribution of cyclic oligomers via intramolecular metathesis degradation ofcis-polybutadiene

Materials Engineering / Chemical Engineering / Modeling / Molecular modeling / POlymer degradation and stability / Metathesis / Product Distribution / Chemical equilibrium / Polymer Degradation / Ab Initio Calculation / Experimental Data / Equilibrium Constant / Metathesis / Product Distribution / Chemical equilibrium / Polymer Degradation / Ab Initio Calculation / Experimental Data / Equilibrium Constant

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