scholarly article | Q13442814 |
P2093 | author name string | Avner Schlessinger | |
Peter W Swaan | |||
Herman van Vlijmen | |||
Ken Korzekwa | |||
Pär Matsson | |||
Matthew A Welch | |||
P2860 | cites work | Mechanism of Substrate Translocation in an Alternating Access Transporter | Q47915794 |
Relative Binding Free Energy Calculations Applied to Protein Homology Models | Q48050957 | ||
Design and Implementation of High-Throughput Screening Assays. | Q50796008 | ||
ADME evaluation in drug discovery. 10. Predictions of P-glycoprotein inhibitors using recursive partitioning and naive Bayesian classification techniques. | Q51590505 | ||
Discovery of novel chemotypes to a G-protein-coupled receptor through ligand-steered homology modeling and structure-based virtual screening. | Q51791975 | ||
Structure-activity relationship studies on benzofuran analogs of propafenone-type modulators of tumor cell multidrug resistance. | Q52418746 | ||
Insights into the Structure, Function, and Ligand Discovery of the Large Neutral Amino Acid Transporter 1, LAT1. | Q52563214 | ||
Clinical relevance of transmembrane drug efflux as a mechanism of multidrug resistance. | Q54116698 | ||
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set | Q54376695 | ||
Structural basis for dual-mode inhibition of the ABC transporter MsbA | Q56029406 | ||
Molecular Properties of Drugs Interacting with SLC22 Transporters OAT1, OAT3, OCT1, and OCT2: A Machine-Learning Approach | Q95795711 | ||
The FoldX web server: an online force field | Q24530376 | ||
ModBase, a database of annotated comparative protein structure models, and associated resources | Q24613729 | ||
The SWISS-MODEL Repository and associated resources | Q24656047 | ||
Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding | Q24657908 | ||
A Call for Systematic Research on Solute Carriers | Q26800313 | ||
ITC recommendations for transporter kinetic parameter estimation and translational modeling of transport-mediated PK and DDIs in humans | Q27022933 | ||
Structure and mechanism of a bacterial sodium-dependent dicarboxylate transporter | Q27674651 | ||
Crystal structure of the human glucose transporter GLUT1 | Q27690274 | ||
Comparative protein structure modeling of genes and genomes | Q27860712 | ||
The Amber biomolecular simulation programs | Q27860745 | ||
Protein structure prediction and structural genomics | Q28190526 | ||
Mutations in the Na(+)/citrate cotransporter NaCT (SLC13A5) in pediatric patients with epilepsy and developmental delay | Q28830248 | ||
Development of proteo-chemometrics: a novel technology for the analysis of drug-receptor interactions | Q29387639 | ||
Predicting the effects of coding non-synonymous variants on protein function using the SIFT algorithm | Q29547194 | ||
New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays | Q29615588 | ||
Membrane transporters in drug development | Q29616802 | ||
SNPs, protein structure, and disease. | Q30328103 | ||
Docking Screens for Novel Ligands Conferring New Biology | Q30489011 | ||
QSAR models for P-glycoprotein transport based on a highly consistent data set. | Q30561069 | ||
Ligand discovery from a dopamine D3 receptor homology model and crystal structure | Q31031038 | ||
Liver-specific drug targeting by coupling to bile acids | Q33205110 | ||
Molecular docking screens using comparative models of proteins | Q33511631 | ||
Integrative structure modeling of macromolecular assemblies from proteomics data | Q33589651 | ||
Molecular modeling and ligand docking for solute carrier (SLC) transporters | Q33751096 | ||
Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling | Q33799288 | ||
Comparison of human solute carriers | Q33836276 | ||
AlignMe--a membrane protein sequence alignment web server | Q33860806 | ||
Structural Symmetry in Membrane Proteins. | Q33880058 | ||
Profiling of a prescription drug library for potential renal drug-drug interactions mediated by the organic cation transporter 2 | Q33907033 | ||
Coexistence of passive and carrier-mediated processes in drug transport | Q34128770 | ||
Structure-based identification of OATP1B1/3 inhibitors | Q34338211 | ||
Docking and scoring in virtual screening for drug discovery: methods and applications | Q34364227 | ||
PredictProtein--an open resource for online prediction of protein structural and functional features | Q34418986 | ||
The oligopeptide transporter (Pept-1) in human intestine: biology and function | Q34431100 | ||
X-ray structures and mechanism of the human serotonin transporter | Q34521033 | ||
Progress in understanding the structure-activity relationships of P-glycoprotein | Q34581554 | ||
SNAP: predict effect of non-synonymous polymorphisms on function | Q34631704 | ||
A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields | Q34754007 | ||
High-resolution modeling of transmembrane helical protein structures from distant homologues | Q35172794 | ||
Structure-based discovery of prescription drugs that interact with the norepinephrine transporter, NET. | Q35229337 | ||
Molecular analysis and structure-activity relationship modeling of the substrate/inhibitor interaction site of plasma membrane monoamine transporter. | Q35429797 | ||
Toward predicting drug-induced liver injury: parallel computational approaches to identify multidrug resistance protein 4 and bile salt export pump inhibitors | Q35531766 | ||
Pharmacophore-based discovery of ligands for drug transporters | Q35594214 | ||
Computational characterization of structural dynamics underlying function in active membrane transporters | Q35768037 | ||
Intracellular drug bioavailability: a new predictor of system dependent drug disposition. | Q36287236 | ||
Discovery of Competitive and Noncompetitive Ligands of the Organic Cation Transporter 1 (OCT1; SLC22A1). | Q36288247 | ||
How Frequently Are Pan-Assay Interference Compounds Active? Large-Scale Analysis of Screening Data Reveals Diverse Activity Profiles, Low Global Hit Frequency, and Many Consistently Inactive Compounds | Q36350578 | ||
P-glycoprotein recognition of substrates and circumvention through rational drug design | Q36473975 | ||
Structure-Based Identification of Inhibitors for the SLC13 Family of Na(+)/Dicarboxylate Cotransporters | Q36660676 | ||
Structure-activity relationship for FDA approved drugs as inhibitors of the human sodium taurocholate cotransporting polypeptide (NTCP) | Q36742673 | ||
Mechanism for alternating access in neurotransmitter transporters | Q36785076 | ||
Growth hormone treatment of premature ovarian failure in a mouse model via stimulation of the Notch-1 signaling pathway | Q37001887 | ||
The solute carrier SLC35F2 enables YM155-mediated DNA damage toxicity | Q37021087 | ||
Substrate-dependent ligand inhibition of the human organic cation transporter OCT2. | Q37027034 | ||
Development of conformation independent computational models for the early recognition of breast cancer resistance protein substrates. | Q37105057 | ||
Membrane proteins: molecular dynamics simulations. | Q37136274 | ||
SLC Transporters: Structure, Function, and Drug Discovery. | Q37279747 | ||
Unravelling biological macromolecules with cryo-electron microscopy. | Q37357527 | ||
Early identification of clinically relevant drug interactions with the human bile salt export pump (BSEP/ABCB11). | Q37380777 | ||
Substrate-dependent inhibition of human MATE1 by cationic ionic liquids | Q37422651 | ||
The bacterial dicarboxylate transporter VcINDY uses a two-domain elevator-type mechanism. | Q37561921 | ||
Compartmental models for apical efflux by P-glycoprotein: part 2--a theoretical study on transporter kinetic parameters | Q37595617 | ||
Structural bases for the interaction and stabilization of the human amino acid transporter LAT2 with its ancillary protein 4F2hc. | Q37612695 | ||
Three-dimensional pharmacophore methods in drug discovery | Q37615315 | ||
3D-QSAR in drug design--a review | Q37636264 | ||
Modeling and simulation of ion-coupled and ATP-driven membrane proteins | Q37844747 | ||
The SLC3 and SLC7 families of amino acid transporters | Q38090767 | ||
Emerging transporters of clinical importance: an update from the International Transporter Consortium | Q38099192 | ||
Accurate Prediction of Ligand Affinities for a Proton-Dependent Oligopeptide Transporter. | Q38569080 | ||
A CRISPR-Cas9 Generated MDCK Cell Line Expressing Human MDR1 Without Endogenous Canine MDR1 (cABCB1): An Improved Tool for Drug Efflux Studies. | Q38705793 | ||
Correlation between Apparent Substrate Affinity and OCT2 Transport Turnover | Q38725411 | ||
Complete Knockout of Endogenous Mdr1 (Abcb1) in MDCK Cells by CRISPR-Cas9. | Q38794805 | ||
Mechanistic diversity in ATP-binding cassette (ABC) transporters | Q38856661 | ||
Identification of novel breast cancer resistance protein (BCRP) inhibitors by virtual screening | Q39192540 | ||
Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification | Q39282645 | ||
Colloidal aggregation affects the efficacy of anticancer drugs in cell culture | Q39342880 | ||
Structure-activity relationships of flavonoids as inhibitors of breast cancer resistance protein (BCRP). | Q39585382 | ||
New uses for old drugs: pharmacophore-based screening for the discovery of P-glycoprotein inhibitors | Q39607835 | ||
Identification of novel specific and general inhibitors of the three major human ATP-binding cassette transporters P-gp, BCRP and MRP2 among registered drugs. | Q39855572 | ||
Prediction and identification of drug interactions with the human ATP-binding cassette transporter multidrug-resistance associated protein 2 (MRP2; ABCC2). | Q39985323 | ||
Human PEPT1 pharmacophore distinguishes between dipeptide transport and binding | Q40270603 | ||
Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions | Q41172510 | ||
Pharmacology and regulation of the neuronal dopamine transporter | Q41460319 | ||
Structure of the human multidrug transporter ABCG2. | Q41597764 | ||
Ligand and structure-based classification models for prediction of P-glycoprotein inhibitors | Q41771553 | ||
An Aggregation Advisor for Ligand Discovery. | Q41831853 | ||
Structural variation governs substrate specificity for organic anion transporter (OAT) homologs. Potential remote sensing by OAT family members | Q41905911 | ||
An In Silico Classification Model for Putative ABCC2 Substrates | Q41920699 | ||
High-speed screening and QSAR analysis of human ATP-binding cassette transporter ABCB11 (bile salt export pump) to predict drug-induced intrahepatic cholestasis | Q42037172 | ||
Structure and allosteric inhibition of excitatory amino acid transporter 1. | Q42356946 | ||
Model analysis of the concentration-dependent permeability of P-gp substrates | Q43172128 | ||
Combined pharmacophore modeling, docking, and 3D QSAR studies of ABCB1 and ABCC1 transporter inhibitors | Q43273710 | ||
Combined QSAR and molecule docking studies on predicting P-glycoprotein inhibitors | Q43724449 | ||
Mapping Functionally Important Residues in the Na+/Dicarboxylate Cotransporter, NaDC1. | Q46103625 | ||
Comparison of drug transporter gene expression and functionality in Caco-2 cells from 10 different laboratories. | Q46364386 | ||
Ligand-supported Homology Modelling of Protein Binding-sites using Knowledge-based Potentials | Q47396241 | ||
Chemical Modulation of the Human Oligopeptide Transporter 1, hPepT1. | Q47431439 | ||
5'-Amino acid esters of antiviral nucleosides, acyclovir, and AZT are absorbed by the intestinal PEPT1 peptide transporter | Q47678868 | ||
P433 | issue | 5 | |
P407 | language of work or name | English | Q1860 |
P304 | page(s) | 818-835 | |
P577 | publication date | 2018-08-30 | |
P1433 | published in | Clinical Pharmacology & Therapeutics | Q1101529 |
P1476 | title | Molecular Modeling of Drug-Transporter Interactions-An International Transporter Consortium Perspective | |
P478 | volume | 104 |
Q91874527 | Acetaminophen Overdose as a Potential Risk Factor for Parkinson's Disease |
Q90099257 | Advances and Challenges in Rational Drug Design for SLCs |
Q64113855 | Current Advances in Studying Clinically Relevant Transporters of the Solute Carrier (SLC) Family by Connecting Computational Modeling and Data Science |
Q90701865 | Recent advances in understanding prodrug transport through the SLC15 family of proton-coupled transporters |
Q61451763 | Structural basis for prodrug recognition by the SLC15 family of proton-coupled peptide transporters |
Q91102698 | The International Transporter Consortium: Summarizing Advances in the Role of Transporters in Drug Development |
Q99711228 | Toward a Systematic Structural and Functional Annotation of Solute Carriers Transporters-Example of the SLC6 and SLC7 Families |
Search more.