About: Computational Biochemistry

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Attributs	Valeurs
type	Concept
rdfs:label	Computational Biochemistry
skos:inScheme	document-subtype-name
is Subject of	Mechanisms for the Deamination Reaction of Cytosine with H2O/OH− and 2H2O/OH−: A Computational Study Open Science Grid Study of the Coupling between Conformation and Water Content in the Interior of a Protein In Silico Mutagenesis and Docking Studies of Pseudomonas aeruginosa PA-IIL Lectin  Predicting Binding Modes and Energies Structure of the Complex between Phosphorylated Substrates and the SCF β-TrCP Ubiquitin Ligase Receptor: A Combined NMR, Molecular Modeling, and Docking Approach Chemocavity: Specific Concavity in Protein Reserved for the Binding of Biologically Functional Small Molecules Evaluation of Different Virtual Screening Programs for Docking in a Charged Binding Pocket An Improved PMF Scoring Function for Universally Predicting the Interactions of a Ligand with Protein, DNA, and RNA Targeting the Conformational Transitions of MDM2 and MDMX: Insights into Dissimilarities and Similarities of p53 Recognition Structure-Based Discovery of Novel Non-nucleosidic DNA Alkyltransferase Inhibitors: Virtual Screening and in Vitro and in Vivo Activities Effect of Cobratoxin Binding on the Normal Mode Vibration within Acetylcholine Binding Protein Combinatorial QSAR Modeling of Specificity and SubtypeSelectivity of Ligands Binding to Serotonin Receptors 5HT1E and 5HT1F Ranking Targets in Structure-Based Virtual Screening of Three-Dimensional Protein Libraries: Methods and Problems Coordination of Na+ by Monoamine Ligands in Dopamine, Norepinephrine, and Serotonin Transporters Homodimerization of Neurotensin 1 Receptor Involves Helices 1, 2, and 4: Insights from Quaternary Structure Predictions and Dimerization Free Energy Estimations Bootstrap-Based Consensus Scoring Method for Protein-Ligand Docking Automatic Determination of Reaction Mappings and Reaction Center Information. 1. The Imaginary Transition State Energy Approach Activation Mechanism of the Human Histamine H4 Receptor - An Explicit Membrane Molecular Dynamics Simulation Study Binding Interaction Analysis of the Active Site and Its Inhibitors for Neuraminidase (N1 Subtype) of Human Influenza Virus by the Integration of Molecular Docking, FMO Calculation and 3D-QSAR CoMFA Modeling Eliciting Possible Reaction Equations and Metabolic Pathways Involving Orphan Metabolites Information Theory-Based Scoring Function for the Structure-Based Prediction of Protein−Ligand Binding Affinity Automatic Determination of Reaction Mappings and Reaction Center Information. 2. Validation on a Biochemical Reaction Database

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