Pages that link to "Q30329412"
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The following pages link to Virtual screening and fast automated docking methods. (Q30329412):
Displaying 50 items.
- Calculating an optimal box size for ligand docking and virtual screening against experimental and predicted binding pockets (Q27902293) (← links)
- Chemogenomics: an emerging strategy for rapid target and drug discovery (Q28260664) (← links)
- Virtual screening for the discovery of bioactive natural products (Q28261293) (← links)
- Virtual screening and biological evaluation of inhibitors targeting the XPA-ERCC1 interaction (Q28484387) (← links)
- Virtual screening models for prediction of HIV-1 RT associated RNase H inhibition (Q28533482) (← links)
- Redefining Cheminformatics with Intuitive Collaborative Mobile Apps (Q28710562) (← links)
- Effective handling of induced-fit motion in flexible docking. (Q30353351) (← links)
- A combined ligand-based and target-based drug design approach for G-protein coupled receptors: application to salvinorin A, a selective kappa opioid receptor agonist. (Q30357121) (← links)
- Q-Dock(LHM): Low-resolution refinement for ligand comparative modeling. (Q30381629) (← links)
- Discovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction (Q30396236) (← links)
- Bio- and chemo-informatics beyond data management: crucial challenges and future opportunities (Q30696195) (← links)
- Recovering the true targets of specific ligands by virtual screening of the protein data bank (Q30757788) (← links)
- Comparing Performance of Computational Tools for Combinatorial Library Design (Q30824935) (← links)
- Validation of an empirical RNA-ligand scoring function for fast flexible docking using Ribodock (Q31112340) (← links)
- Virtual screening to enrich hit lists from high-throughput screening: a case study on small-molecule inhibitors of angiogenin. (Q31120824) (← links)
- Information-based methods in the development of antiparasitic drugs (Q31154737) (← links)
- Computational redesign of bacterial biotin carboxylase inhibitors using structure-based virtual screening of combinatorial libraries. (Q31155333) (← links)
- A very large diversity space of synthetically accessible compounds for use with drug design programs (Q33220760) (← links)
- Application of linear discriminant analysis in the virtual screening of antichagasic drugs through trypanothione reductase inhibition (Q33259931) (← links)
- Modulation of biomolecular interactions with complex-binding small molecules (Q33345703) (← links)
- PhAST: pharmacophore alignment search tool (Q33363411) (← links)
- Virtual Screening as a Technique for PPAR Modulator Discovery (Q33502225) (← links)
- Dockres: a computer program that analyzes the output of virtual screening of small molecules (Q33537413) (← links)
- Receptor-Based Discovery of a Plasmalemmal Monoamine Transporter Inhibitor via High Throughput Docking and Pharmacophore Modeling (Q33547418) (← links)
- An interaction-motif-based scoring function for protein-ligand docking (Q33594934) (← links)
- Virtual Screening of Compound Libraries (Q33652555) (← links)
- Adaptive Combinatorial Design of Focused Compound Libraries (Q33652569) (← links)
- Calculation of absolute protein-ligand binding free energy from computer simulations (Q33784404) (← links)
- Virtual high-throughput ligand screening (Q33815031) (← links)
- Application of NMR and molecular docking in structure-based drug discovery (Q34019272) (← links)
- Discrete molecular dynamics distinguishes nativelike binding poses from decoys in difficult targets (Q34120783) (← links)
- Analysis of structure-based virtual screening studies and characterization of identified active compounds (Q34212790) (← links)
- Pharmacophore modelling: applications in drug discovery (Q34621241) (← links)
- Absolute binding free energy calculations using molecular dynamics simulations with restraining potentials (Q35051978) (← links)
- Leveraging process integration in early drug discovery (Q35053167) (← links)
- Challenges, applications, and recent advances of protein-ligand docking in structure-based drug design. (Q35206344) (← links)
- Identification of a novel selective serotonin reuptake inhibitor by coupling monoamine transporter-based virtual screening and rational molecular hybridization (Q35234897) (← links)
- Virtual screening of 2,3-disubstituted-4(3H)-quinazolinones possessing benzenesulfonamide moiety for COX-2 inhibitor. (Q35556534) (← links)
- BioInfo3D: a suite of tools for structural bioinformatics (Q35556747) (← links)
- Identification and characterization of novel small-molecule inhibitors against hepatitis delta virus replication by using docking strategies. (Q35603833) (← links)
- Integrating sampling techniques and inverse virtual screening: toward the discovery of artificial peptide-based receptors for ligands (Q35836731) (← links)
- Frog: a FRee Online druG 3D conformation generator. (Q35914146) (← links)
- Pharmacophore Alignment Search Tool (PhAST): Significance Assessment of Chemical Similarity (Q36092217) (← links)
- Finding protein kinase hits using structural information (Q36477457) (← links)
- Novel inhibitors of checkpoint kinase 1. (Q36939959) (← links)
- Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection--what can we learn from earlier mistakes? (Q37057393) (← links)
- Pre-docking filter for protein and ligand 3D structures (Q37105680) (← links)
- MedusaScore: an accurate force field-based scoring function for virtual drug screening (Q37149411) (← links)
- Molecular Characterization and Enhancement of Anticancer Activity of Caffeic Acid Phenethyl Ester by γ Cyclodextrin (Q37290450) (← links)
- Computations of standard binding free energies with molecular dynamics simulations (Q37335295) (← links)