Keywords: عملکرد امتیازدهی; Computational ligand docking; Conformational search space; Drug-target interactions; Inverse docking; Multiple grid arrangement; Structure-based drug design; Scoring function; Virtual screening;
مقالات ISI عملکرد امتیازدهی (ترجمه نشده)
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در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
Keywords: عملکرد امتیازدهی; Markov network; Structure learning; Scoring function; Blankets posterior; Irregular structures;
Keywords: عملکرد امتیازدهی; Scoring function; Shape matching; Normalized volume mismatch; Protein docking;
Keywords: عملکرد امتیازدهی; Uncertainty learning; Rough set-based prediction; Scoring function; Strong stability; Pointwise hypothesis stability; Generalization error bound;
Keywords: عملکرد امتیازدهی; Bayesian network; Conditional independence; Scoring function; d-separation;
Keywords: عملکرد امتیازدهی; Molecular docking; Docking power; Scoring function; Machine learning optimization; Smina; Autodock Vina; Drug discovery; Cross docking
Keywords: عملکرد امتیازدهی; Carbohydrate force field; Scoring function; Simulation; Drug design; Carbohydrate–protein interaction
Keywords: عملکرد امتیازدهی; Virtual screening; Docking; Chemical databases; Target preparation; Scoring function
FLIP: An assisting software in structure based drug design using fingerprint of protein-ligand interaction profiles
Keywords: عملکرد امتیازدهی; Drug discovery; Structure-based drug design; Interaction fingerprints; Molecular interactions; Scoring function;
Graph-based approaches to debugging and revision of terminologies in DL-Lite
Keywords: عملکرد امتیازدهی; DL-Lite; Ontology debugging; Ontology revision; Scoring function; Hitting set tree
Comparative assessment of machine-learning scoring functions on PDBbind 2013
Keywords: عملکرد امتیازدهی; Random forest; Principal component analysis; Computational docking; Scoring function; Virtual screening; Complex binding affinity
Machine learning in computational docking
Keywords: عملکرد امتیازدهی; Machine learning; Random forest; Support vector machine; Drug discovery; Computational docking; Scoring function; Virtual screening; Complex binding affinity; Ligands ranking accuracy; Force field interaction; Pharmacophore fingerprint
An efficient node ordering method using the conditional frequency for the K2 algorithm
Keywords: عملکرد امتیازدهی; Bayesian networks; Causal relation; Scoring function; Node ordering; K2 algorithm
BACHSCORE. A tool for evaluating efficiently and reliably the quality of large sets of protein structures
Keywords: عملکرد امتیازدهی; Model quality assessment; Protein structure prediction; Scoring function; Solvation energy; Statistical potential; Web server;
Capturing native/native like structures with a physico-chemical metric (pcSM) in protein folding
Keywords: عملکرد امتیازدهی; Protein folding; Protein structure prediction; Decoy; Scoring function; Native structure;
An in silico virtual screening study for the design of norovirus inhibitors: fragment-based molecular docking and binding free energy calculations
Keywords: عملکرد امتیازدهی; Carbohydrate antigen; Influenza; Caliciviridae; In silico screening; Scoring function; Ro3
The likelihood property in general retrieval operations
Keywords: عملکرد امتیازدهی; Information retrieval; Probabilistic model; Scoring function; Ranking function;
In silico binding free energy predictability with Ï-Ï interaction energy-augmented scoring function: Benzimidazole Raf inhibitors as a case study
Keywords: عملکرد امتیازدهی; Ï-Ï interaction; Scoring function; LMP2 calculation; 3D-QSAR; Ring groups; Active site;
Prediction of protein–ligand binding affinities using multiple instance learning
Keywords: عملکرد امتیازدهی; Scoring function; Binding affinity; Docking program; Virtual screening; Structure-based drug design; Machine learning; Multiple instance learning; Boosting
Phenotypic identification of farm animal genetic resources using computer learning with scoring function
Keywords: عملکرد امتیازدهی; Animal genetic resources; Breed; Computer learning; Scoring function; Breed identification
Comparison of current docking tools for the simulation of inhibitor binding by the transmembrane domain of the sarco/endoplasmic reticulum calcium ATPase
Keywords: عملکرد امتیازدهی; Scoring function; Inhibitory potency; Calcium pump; Thapsigargin; Di-tert-butylhydroquinone; Cyclopiazonic acid;
Development and validation of an empirical free energy function for calculating protein-protein binding free energy surfaces
Keywords: عملکرد امتیازدهی; Free energy; Docking; Computational; Binding affinity; Scoring function; Protein-protein;
The effect of different electrostatic potentials on docking accuracy: A case study using DOCK5.4
Keywords: عملکرد امتیازدهی; Molecular docking; DOCK; Electrostatic potentials; Scoring function; AM1-BCC
Amino acid network and its scoring application in protein-protein docking
Keywords: عملکرد امتیازدهی; Hydrophobic; Hydrophilic; Amino acid network; Scoring function;
Complex-type-dependent scoring functions in protein-protein docking
Keywords: عملکرد امتیازدهی; Binding affinity; Scoring function; Protein-protein docking;
Receptor-based QSAR studies of non-peptide human oxytocin receptor antagonists
Keywords: عملکرد امتیازدهی; Receptor-based QSAR; Scoring function; CoMFA with q2-GRS; Human oxytocin receptor; Benzoxazinone antagonists
Scoring Function for the Other-type Protein Complexe
Keywords: عملکرد امتیازدهی; Scoring function; Atomic contact energy; Residue pair potential; Other-type complexes; CAPRI;
An evaluation of automated in silico ligand docking of amino acid ligands to Family C G-protein coupled receptors
Keywords: عملکرد امتیازدهی; Family C GPCR; Metabotropic glutamate receptor; Calcium-sensing receptor; GPRC6A; 5.24 Receptor; Automatic docking; Scoring function; Homology model; FlexX
Computer-aided analysis of the interactions of glutamine synthetase with its inhibitors
Keywords: عملکرد امتیازدهی; Enzyme inhibitors; Glutamine synthetase; Phosphorylation; Scoring function; Phosphinothricin; Methionine sulfoximine
An all atom energy based computational protocol for predicting binding affinities of protein–ligand complexes
Keywords: عملکرد امتیازدهی; Scoring function; Binding affinity; Protein–ligand complexes; Structure-based drug design; Drug design in silico