Molecular modeling

Peptide sr11a from Conus spurius is a novel peptide blocker for Kv1 potassium channels

Physiology / Molecular modeling / Mice / Animals / Peptides / High Performance Liquid Chromatography / Xenopus laevis / Amino Acid Profile / Protein Conformation / Biological activity / Amino Acid Sequence / Molecular Sequence Data / High Performance Liquid Chromatography / Xenopus laevis / Amino Acid Profile / Protein Conformation / Biological activity / Amino Acid Sequence / Molecular Sequence Data

Peptide sr11a from Conus spurius is a novel peptide blocker for Kv1 potassium channels

Physiology / Molecular modeling / Mice / Animals / Peptides / High Performance Liquid Chromatography / Xenopus laevis / Amino Acid Profile / Protein Conformation / Biological activity / Amino Acid Sequence / High Performance Liquid Chromatography / Xenopus laevis / Amino Acid Profile / Protein Conformation / Biological activity / Amino Acid Sequence

wxMol: um Visualizador/Editor 3D de Moléculas Multi-plataforma

Molecular modeling / 3D Computer Graphics Programming

Síntese, avaliação biológica e modelagem molecular de arilfuranos como inibidores da enzima tripanotiona redutase

Molecular modeling / South America / Enzyme / CHEMICAL SCIENCES / Trypanosoma Cruzi / Quimica Nova

Computer-assisted design for paracetamol masking bitter taste prodrugs

Thermodynamics / Computer Aided Design / Molecular modeling / DFT calculation / Electron Transfer / Drug Design / Proton Transfer / Taste / Enzyme / Hydrogen Bond / Hydrogen Bonding / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Acetaminophen / Computer-assisted instructional design / Reaction Rate / Kinetic Parameter / Drug Design / Proton Transfer / Taste / Enzyme / Hydrogen Bond / Hydrogen Bonding / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Acetaminophen / Computer-assisted instructional design / Reaction Rate / Kinetic Parameter

Selective A3 adenosine receptor antagonists derived from nucleosides containing a bicyclo[3.1.0]hexane ring system

Algorithms / Organic Chemistry / Molecular modeling / Free Radical / Humans / cyclic AMP / Animals / Guanosine Triphosphate / Radioligand Assay / Bioorganic and medicinal Chemistry / Nucleosides / Structure activity Relationship / Ribose / cyclic AMP / Animals / Guanosine Triphosphate / Radioligand Assay / Bioorganic and medicinal Chemistry / Nucleosides / Structure activity Relationship / Ribose

Molecular models for 267 binary mixtures validated by vapor–liquid equilibria: A systematic approach

Chemical Engineering / Molecular modeling / Classical Physics / Vapor Pressure / Vapor liquid equilibrium / Mixture Model / Fluid phase equilibria / Vapor Liquid Equilibria / Mixture Model / Fluid phase equilibria / Vapor Liquid Equilibria

Proposta de UEPS para o ensino de Estereoquimica CIS TRANS a partir da uma Unidade de Ensino Potencialmente Significativa (UEPS) e do uso de Modelagem Molecular

Molecular modeling / Teaching chemistry / Meaningful Learning / Linkage Isomerism / Didactical sequence / Combinatory Meaningful Learning / Isomerism / Combinatory Meaningful Learning / Isomerism

Introdução a modelagem molecular de fármacos no curso experimental de química farmacêutica

Molecular modeling / CHEMICAL SCIENCES / Conformational Analysis / Structure activity Relationship / Quimica Nova

Structure of an oligonucleotide containing a N-(2-deoxy-β-D-erythro-pentofuranosyl)formamide residue facing a guanine

Nuclear Magnetic Resonance / Magnetic Resonance Spectroscopy / Molecular modeling / Hydrogen Bond / Biochimie / Ionizing Radiation / Oxidative Dna Damage / Conformational Change / Nucleic Acid Conformation / Oligonucleotides / Biochemistry and cell biology / Ionizing Radiation / Oxidative Dna Damage / Conformational Change / Nucleic Acid Conformation / Oligonucleotides / Biochemistry and cell biology

Modeling pilus structures from sparse data

Electron Microscopy / Structural Biology / Molecular modeling / Vibrio cholerae / Protein Secretion / Protein Secondary Structure Prediction / Sparse Data / Protein Conformation / Experimental Validation / Experimental Data / Plasma Membrane / Klebsiella Oxytoca / Biochemistry and cell biology / Neisseria gonorrhoeae / Protein Secondary Structure Prediction / Sparse Data / Protein Conformation / Experimental Validation / Experimental Data / Plasma Membrane / Klebsiella Oxytoca / Biochemistry and cell biology / Neisseria gonorrhoeae

Novel selective thiazoleacetic acids as CRTH2 antagonists developed from in silico derived hits. Part 1

Organic Chemistry / Modeling / Prediction / Pharmacokinetics / Molecular modeling / Cercopithecus aethiops / Cell line / In Vitro / Humans / Animals / Resonant Energy Transfer / Bioluminescence / In Vivo / Rats / Molecular Model / Water Solubility / Acetic Acid / ADME / Bioorganic and medicinal Chemistry / Thiazoles / In Silico / Structure activity Relationship / Protein Binding / Chemical Synthesis / Selectivity / Binding affinity / Cercopithecus aethiops / Cell line / In Vitro / Humans / Animals / Resonant Energy Transfer / Bioluminescence / In Vivo / Rats / Molecular Model / Water Solubility / Acetic Acid / ADME / Bioorganic and medicinal Chemistry / Thiazoles / In Silico / Structure activity Relationship / Protein Binding / Chemical Synthesis / Selectivity / Binding affinity

Síntese, avaliação biológica e modelagem molecular de arilfuranos como inibidores da enzima tripanotiona redutase

Molecular modeling / South America / Enzyme / CHEMICAL SCIENCES / Trypanosoma Cruzi / Quimica Nova

Uso de um software de construção de modelos moleculares no ensino de isomeria geométrica: um estudo de caso baseado na teoria de mediação cognitiva

Molecular modeling / Computer Simulation / Case Study / Cognitive Theory / High School Student

A new Factor Xa inhibitor from Amblyomma cajennense with a unique domain composition

Molecular modeling / Molecular Dynamics / Humans / Escherichia coli / Animals / Molecular cloning / Ixodidae / Salivary Gland / Structure activity Relationship / Recombinant Proteins / Bioactive Compound / Molecular Dynamic Simulation / Factor Xa / cDNA library / Biochemistry and cell biology / Molecular cloning / Ixodidae / Salivary Gland / Structure activity Relationship / Recombinant Proteins / Bioactive Compound / Molecular Dynamic Simulation / Factor Xa / cDNA library / Biochemistry and cell biology

A new Factor Xa inhibitor from Amblyomma cajennense with a unique domain composition

Molecular modeling / Molecular Dynamics / Humans / Escherichia coli / Animals / Molecular cloning / Ixodidae / Salivary Gland / Structure activity Relationship / Recombinant Proteins / Bioactive Compound / Molecular Dynamic Simulation / Factor Xa / cDNA library / Biochemistry and cell biology / Molecular cloning / Ixodidae / Salivary Gland / Structure activity Relationship / Recombinant Proteins / Bioactive Compound / Molecular Dynamic Simulation / Factor Xa / cDNA library / Biochemistry and cell biology

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