Predicting drug resistance of the HIV-1 protease using molecular interaction energy components.
about
Structure-based methods for predicting target mutation-induced drug resistance and rational drug design to overcome the problemCharacterization of small molecule binding. I. Accurate identification of strong inhibitors in virtual screeningPrediction of mutational tolerance in HIV-1 protease and reverse transcriptase using flexible backbone protein designCharacterization of domain-peptide interaction interface: prediction of SH3 domain-mediated protein-protein interaction network in yeast by generic structure-based models.Characterization of PDZ domain-peptide interaction interface based on energetic patternsCharacterization of domain-peptide interaction interface: a generic structure-based model to decipher the binding specificity of SH3 domains.Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set.Machine learning on normalized protein sequences.Dynamical basis for drug resistance of HIV-1 protease.A multifaceted analysis of HIV-1 protease multidrug resistance phenotypesThe molecular mechanism of bisphenol A (BPA) as an endocrine disruptor by interacting with nuclear receptors: insights from molecular dynamics (MD) simulations.Highly Accurate Structure-Based Prediction of HIV-1 Coreceptor Usage Suggests Intermolecular Interactions Driving TropismChemotherapy Drug Response to the L858R-induced Conformational Change of EGFR Activation Loop in Lung Cancer.Constructing and Validating High-Performance MIEC-SVM Models in Virtual Screening for Kinases: A Better Way for Actives Discovery.Personalized prediction of EGFR mutation-induced drug resistance in lung cancer.Biological and computational evaluation of resveratrol inhibitors against Alzheimer's disease.Discovery of Rho-kinase inhibitors by docking-based virtual screening.Discovery and optimization of triazine derivatives as ROCK1 inhibitors: molecular docking, molecular dynamics simulations and free energy calculations.MIEC-SVM: automated pipeline for protein peptide/ligand interaction prediction.Theoretical studies on FGFR isoform selectivity of FGFR1/FGFR4 inhibitors by molecular dynamics simulations and free energy calculations.Exploring resistance mechanisms of HCV NS3/4A protease mutations to MK5172: insight from molecular dynamics simulations and free energy calculations.Potent inhibition of TGF-β signaling pathway regulator Abl: potential therapeutics for hepatic fibrosis.A simple structure-based model for the prediction of HIV-1 co-receptor tropism.A study of the interaction between HIV-1 protease and C 2-symmetric inhibitors by computational methods.Importance of protein flexibility on molecular recognition: modeling binding mechanisms of aminopyrazine inhibitors to Nek2.Resource limitation prevents the emergence of drug resistance by intensifying within-host competition.Chemotherapeutic drug selectivity between wild-type and mutant BRaf kinases in colon cancer.Theoretical studies on the selective mechanisms of GSK3β and CDK2 by molecular dynamics simulations and free energy calculations.Prediction of O-glycosylation sites based on multi-scale composition of amino acids and feature selection.Structural basis of the interactions between CXCR4 and CXCL12/SDF-1 revealed by theoretical approaches.Computational identification of post-translational modification-based nuclear import regulations by characterizing nuclear localization signal-import receptor interaction.Theoretical studies on beta and delta isoform-specific binding mechanisms of phosphoinositide 3-kinase inhibitors.
P2860
Q26829549-CAE6307C-40AF-477A-A6CF-83908E20AF5BQ28281920-BDD480F2-64FA-4AFA-86D5-5BE6D3E6B872Q28914732-377A426B-DA7A-4DA4-BEDF-B643AEA561B0Q30010144-F4CAF426-4316-49C4-9F24-69C5A8EB5259Q30010236-CE1CEAB1-02F1-482B-AB5B-7A8DA154B5D4Q30157459-20CE0310-3709-40A2-9CBA-F0E3BCD536CAQ30835329-BBA07989-F31B-4D73-8103-B2A8C2D7FB85Q33858855-235047E2-D457-475A-9005-A3F656B9B2C6Q33955900-4C8CDCD5-6385-4805-9DC3-9E10AC039A2CQ34102058-DC84F1F7-57D5-4618-A3A6-0A8A9664487CQ35583912-9842B949-DE98-43F5-B39E-B97F331D90A0Q35918124-1A84B23D-0196-489E-993F-0DDE0025F026Q36137185-B295E84F-D87D-4C9C-ABB6-1389422107B4Q36824248-12E58332-EB53-4F41-ABE5-ECB15CE39FE6Q37214412-60181CBD-3F70-441B-AA00-A85C1B50C690Q38856393-1C4598EC-1D74-455A-82A3-F475D43E41F1Q39172399-E0C0C125-435D-4478-8BBD-89A0A95CCEE3Q39206564-6D130AAC-64C2-4CE3-8E59-D62045940448Q40320930-CDD08AAD-A25E-47ED-9ECC-87DE4DFED3C3Q40377857-5C0E3B7B-7584-4C04-AB22-72DE3D6FDFA2Q40685694-1EAFC114-545C-4716-9C8F-CA907CA72F5CQ41651767-DCD65561-1F60-4DEC-8719-112DD71C075AQ41827055-9A91C3A5-B0E7-46C4-8665-7C2E8072CA74Q42206250-370FFB92-6D72-404E-B5D5-801A0E8A3025Q47225930-2C34E9CE-EBC3-401E-9A66-28A2CF67FE50Q47578436-CD13E173-A2B7-4172-B6C2-CA002B37DB0AQ48911853-2248C54A-2FBD-455C-A81C-C1719F08ADF3Q48930138-914F8617-AC46-415B-A85B-017B791CB7BBQ50950684-8E484B18-6285-4AA6-BC7F-B34E8C0AE1B4Q50965349-30B8A51A-F07A-48D8-80F0-250072A43134Q51065936-3464E2D9-CE8E-43B3-A24E-1896DF5D23A7Q54442312-028134F9-6D16-42DD-BA3D-916417B7C3A6
P2860
Predicting drug resistance of the HIV-1 protease using molecular interaction energy components.
description
2009 nî lūn-bûn
@nan
2009 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի մարտին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Predicting drug resistance of ...... interaction energy components.
@ast
Predicting drug resistance of ...... interaction energy components.
@en
type
label
Predicting drug resistance of ...... interaction energy components.
@ast
Predicting drug resistance of ...... interaction energy components.
@en
prefLabel
Predicting drug resistance of ...... interaction energy components.
@ast
Predicting drug resistance of ...... interaction energy components.
@en
P2860
P356
P1433
P1476
Predicting drug resistance of ...... interaction energy components.
@en
P2093
P2860
P304
P356
10.1002/PROT.22192
P407
P577
2009-03-01T00:00:00Z