[PDF] Top 20 Protein-specific Scoring Method for Ligand Discovery
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Protein-specific Scoring Method for Ligand Discovery
... drug discovery process. Most protein-based virtual screening experiments are carried out with docking ...incorporated scoring function based on various energy terms. The existing scoring ... See full document
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Inferring homologous protein-protein interactions through pair position specific scoring matrix
... new method “pair Position Specific Scoring Matrix (pairPSSM)” to esti- mate the probabilities with which residue pairs occur at various contact positions by evolutionary profiles, leading to a more ... See full document
12
Development and evaluation of a generic evolutionary method for protein-ligand docking
... ing method, which evolves simultaneously both rigid and flexible docked conformations, because most of the current methods are either flexible or rigid docking ...the scoring function which is one of the ... See full document
15
Prediction and analysis of protein solubility using a novel scoring card method with dipeptide composition
... tools for other caspases and ...the discovery of such targets might have significant implications for the development of drugs for various diseases including cancer, autoim- mune disorders and ... See full document
14
SODOCK: Swarm optimization for highly flexible protein-ligand docking
... docking; scoring function; genetic algorithm; particle swarm optimization; local search Introduction Automated protein–ligand docking is an effective tool for struc- ture-based drug ...design. ... See full document
12
Capillary electrophoresis using immobilized whole cells with overexpressed endothelin receptor for specific ligand screening
... electrophoresis method using immobilized cells as the stationary phase has been ...this method is demonstrated by the separa- tion and identification of endothelin antagonists on a capillary column coated ... See full document
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Predicting Protein-Ligand Interactions Based on Chemical Preference Features with its Application to New D-Amino Acid Oxidase Inhibitor Discovery
... value for the drug discovery process. Currently, the amount of protein targets that have been identified experimentally is still very small compared with the entire human ...predict ... See full document
37
A Hybrid Method for Protein Secondary Structure Prediction
... the method so that the time performance is improved while the accuracy performance is ...position specific scoring matrix as part of the input, the hybrid method achieves good performances ... See full document
6
Weighted Equation and Rules - A Novel Concept for Evaluating Protein-Ligand Interaction
... WS method lies in combining the scoring functions from different algorithms to evaluate the sum of binding affinities that is more comprehensive than any single scoring function can ...the ... See full document
3
TSCC: Two-Stage Combinatorial Clustering for virtual screening using protein-ligand interactions and physicochemical features
... a method for selecting ade- quate representative compounds from a 3D database that can be used in therapeutic or industrial applica- ...our method ’s accuracy and the proper activity and application ... See full document
12
Consensus scoring criteria for improving enrichment in virtual screening
... 8 scoring functions. In practice, the performance of a scoring function is limited by our incomplete understanding of the complex issues involved in chemical ...these scoring functions is, therefore, ... See full document
13
ATRIPPI: An atom-residue preference scoring function for protein-protein interactions
... 641 protein-protein interfaces of known high-resolution structures from PDB, to derive both atom-atom and residue-residue interacting ...621 protein-protein complexes were proposed by Glaser ... See full document
8
Discovery of Recurrent Structural Motifs for Approximating Three-Dimensional Protein Structures
... of protein structures is represented by a centroid ...the protein fragments with an error of ...whole protein structures at high resolution: a resolution of ... See full document
8
Chemical Chaperone and Inhibitor Discovery: Potential Treatments for Protein Conformational Diseases
... Abstract: Protein misfolding and aggregation cause a large number of neurodegenerative diseases in humans due to (i) gain of function as observed in Alzheimer’s disease, Huntington’s disease, Parkinson’s disease, ... See full document
10
An efficient mechanism for prediction of protein-ligand interactions based on analysis of protein tertiary substructures
... of protein-ligand interactions is a fundamen- tal issue in drug ...of protein-ligand interactions involves calcu- lation of binding free energy based on thermodynamics and even quantum ... See full document
7
Hybrid method for predicting protein location in cells
... reliable method for protein subcellular localization prediction, especially when large-scale genome sequences are to be ...accuracy for a set of 17655 proteins can reach up to ... See full document
1
Incorporating hidden Markov models for identifying protein kinase-specific phosphorylation sites
... Abstract: Protein phosphorylation, which is an important mechanism in posttranslational modification, affects essential cellular processes such as metabolism, cell signaling, differentiation, and membrane ...tool ... See full document
10
SCMCRYS: Predicting Protein Crystallization Using an Ensemble Scoring Card Method with Estimating Propensity Scores of P-Collocated Amino Acid Pairs
... methods for predicting protein crystallization obtain high accuracy using various types of complemented features and complex ensemble classifiers, such as support vector machine (SVM) and Random Forest ... See full document
11
KinasePhos: a Web Tool for Identifying Protein Kinase-Specific Phosphorylation Sites
... 日期: 2005 上傳時間: 2010-03-19T08:24:32Z 出版者: Asia University 摘要: KinasePhos is a novel web server forcomputationally identifying catalytic kinase-specific phosphorylation sites. The known phosphorylation sites from ... See full document
1
KinasePhos: a web tool for identifying protein kinase-specific phosphorylation sites
... article for non-commercial purposes provided that: the original authorship is properly and fully attributed; the Journal and Oxford University Press are attributed as the original place of publication with the ... See full document
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