scholarly article | Q13442814 |
P6179 | Dimensions Publication ID | 1027662849 |
P356 | DOI | 10.1038/APS.2009.159 |
P932 | PMC publication ID | 4007494 |
P698 | PubMed publication ID | 19935678 |
P5875 | ResearchGate publication ID | 40028981 |
P50 | author | Xiaomin Luo | Q40403099 |
P2093 | author name string | Zhi Chen | |
Hua-liang Jiang | |||
Wei-liang Zhu | |||
Qi-jun Zhang | |||
Hong-lin Li | |||
Kun-qian Yu | |||
Xiao-guang Bao | |||
P2860 | cites work | Comparison of automated docking programs as virtual screening tools | Q33389993 |
Angiotensin-converting enzyme inhibitors from the venom of Bothrops jararaca. Isolation, elucidation of structure, and synthesis | Q34206989 | ||
Structure of a Zn2+-containing D-alanyl-D-alanine-cleaving carboxypeptidase at 2.5 A resolution | Q34279340 | ||
Design of Specific Inhibitors of Angiotensin-Converting Enzyme: New Class of Orally Active Antihypertensive Agents | Q34936463 | ||
Virtual Screening on Natural Products for Discovering Active Compounds and Target Information | Q35551743 | ||
Integrating molecular design resources within modern drug discovery research: the Roche experience | Q36437861 | ||
Angiotensin-Converting Enzyme and the Regulation of Vasoactive Peptides | Q37116751 | ||
Expression and structural analysis of 14-3-3 proteins. | Q38299549 | ||
Renin, angiotensin and aldosterone system in pathogenesis and management of hypertensive vascular disease | Q39895582 | ||
A method for quantification of nucleotides and nucleotide analogues in thymidine kinase assays using lanthanum phosphate coprecipitation | Q42585589 | ||
Identification of novel cyclooxygenase-2 selective inhibitors using pharmacophore models | Q43925018 | ||
Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation | Q43987901 | ||
Robust ligand-based modeling of the biological targets of known drugs | Q46202116 | ||
Bradykinin-potentiating peptides from the venom of Agkistrodon halys blomhoffi. Isolation of five bradykinin potentiators and the amino acid sequences of two of them, potentiators B and C. | Q46438588 | ||
A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance | Q47307422 | ||
Pharmacophores incorporating numerous excluded volumes defined by X-ray crystallographic structure in three-dimensional database searching: application to the thyroid hormone receptor | Q47893191 | ||
Clinical pharmacology of rivastigmine: a new-generation acetylcholinesterase inhibitor for the treatment of Alzheimer's disease | Q48395487 | ||
Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations. | Q52069951 | ||
Refinement of Catalyst hypotheses using simplex optimisation | Q59188927 | ||
DrugBank: a comprehensive resource for in silico drug discovery and exploration | Q24188653 | ||
Inhibition of androgen receptor (AR) function by the reproductive orphan nuclear receptor DAX-1 | Q24292392 | ||
The Protein Data Bank | Q24515306 | ||
DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases | Q27231136 | ||
Kinetics and crystal structure of the wild-type and the engineered Y101F mutant of Herpes simplex virus type 1 thymidine kinase interacting with (North)-methanocarba-thymidine | Q27625690 | ||
Unexpected binding mode of a cyclic sulfamide HIV-1 protease inhibitor | Q27735046 | ||
Automatic generation of 3D-atomic coordinates for organic molecules | Q28096264 | ||
Development and validation of a genetic algorithm for flexible docking | Q28236574 | ||
Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy | Q28251042 | ||
Virtual screening strategies in drug discovery | Q28253252 | ||
Structure, dynamics, and catalytic function of dihydrofolate reductase | Q28261353 | ||
Antihypertensive activity in rats for SQ 14,225, an orally active inhibitor of angiotensin I-converting enzyme | Q28321597 | ||
ICM?A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation | Q29010774 | ||
Virtual screening—an overview | Q29541293 | ||
Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes | Q29616736 | ||
A critical assessment of docking programs and scoring functions | Q29616761 | ||
Improved protein-ligand docking using GOLD | Q29616787 | ||
A new test set for validating predictions of protein-ligand interaction. | Q30332170 | ||
Pharmacophore modeling and three-dimensional database searching for drug design using catalyst | Q30997393 | ||
Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B. | Q31057078 | ||
LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters | Q31143138 | ||
Comparative study of several algorithms for flexible ligand docking | Q33201269 | ||
Comparative evaluation of eight docking tools for docking and virtual screening accuracy | Q33206310 | ||
Virtual screening of chemical libraries | Q33209939 | ||
Pharmacophore identification, in silico screening, and virtual library design for inhibitors of the human factor Xa. | Q33211130 | ||
On evaluating molecular-docking methods for pose prediction and enrichment factors | Q33232152 | ||
Is it possible to increase hit rates in structure-based virtual screening by pharmacophore filtering? An investigation of the advantages and pitfalls of post-filtering. | Q33315292 | ||
P433 | issue | 12 | |
P921 | main subject | virtual screening | Q4112105 |
P304 | page(s) | 1694-1708 | |
P577 | publication date | 2009-11-23 | |
P1433 | published in | Acta Pharmacologica Sinica | Q15749885 |
P1476 | title | Pharmacophore-based virtual screening versus docking-based virtual screening: a benchmark comparison against eight targets | |
P478 | volume | 30 |
Q64922722 | A New Pharmacophore Model for the Design of Sigma-1 Ligands Validated on a Large Experimental Dataset. |
Q50947951 | A Novel Antihypertensive Derived from Adlay (Coix larchryma-jobi L. var. ma-yuen Stapf) Glutelin. |
Q30875193 | Benchmarking methods and data sets for ligand enrichment assessment in virtual screening |
Q35814029 | Combinatorial Pharmacophore-Based 3D-QSAR Analysis and Virtual Screening of FGFR1 Inhibitors. |
Q52654614 | Current therapeutic molecules and targets in neurodegenerative diseases based on in silico drug design. |
Q90650682 | Discovery of Novel Glucagon Receptor Antagonists Using Combined Pharmacophore Modeling and Docking |
Q51562264 | Exploring QSARs for inhibitory effect of a set of heterocyclic thrombin inhibitors by multilinear regression refined by artificial neural network and molecular docking simulations. |
Q28481220 | Identification by virtual screening and in vitro testing of human DOPA decarboxylase inhibitors |
Q36394668 | Identification of type I and type II inhibitors of c-Yes kinase using in silico and experimental techniques |
Q36837816 | In silico methods for drug repurposing and pharmacology |
Q89985035 | PHARMIP: An insilico method to predict genetics that underpin adverse drug reactions |
Q50128659 | Pharmacophore Modeling and in Silico/in Vitro Screening for Human Cytochrome P450 11B1 and Cytochrome P450 11B2 Inhibitors |
Q47242237 | Pharmacophore-based virtual screening of catechol-o-methyltransferase (COMT) inhibitors to combat Alzheimer's disease. |
Q90430431 | Pharmmaker: Pharmacophore modeling and hit identification based on druggability simulations |
Q55093753 | Reverse Screening Methods to Search for the Protein Targets of Chemopreventive Compounds. |
Q35229529 | Reviewing ligand-based rational drug design: the search for an ATP synthase inhibitor |
Q64273189 | Structural Perspective on Revealing and Altering Molecular Functions of Genetic Variants Linked with Diseases |
Q38447006 | Structure Identification and Anti-Cancer Pharmacological Prediction of Triterpenes from Ganoderma lucidum. |
Q30356771 | Structure-based ensemble-QSAR model: a novel approach to the study of the EGFR tyrosine kinase and its inhibitors. |
Q27675982 | Targeting Acetylcholinesterase: Identification of Chemical Leads by High Throughput Screening, Structure Determination and Molecular Modeling |
Q27703568 | The Nature of Activated Non-classical Hydrogen Bonds: A Case Study on Acetylcholinesterase-Ligand Complexes |
Q42351969 | Three-dimensional pharmacophore design and biochemical screening identifies substituted 1,2,4-triazoles as inhibitors of the annexin A2-S100A10 protein interaction. |
Q30379556 | Ultrafast protein structure-based virtual screening with Panther. |
Search more.