scholarly article | Q13442814 |
P356 | DOI | 10.1016/J.JMGM.2008.04.003 |
P698 | PubMed publication ID | 18485770 |
P50 | author | Gert Thijs | Q51878942 |
Hans De Winter | Q51878943 | ||
P2093 | author name string | Jonatan Taminau | |
P433 | issue | 2 | |
P304 | page(s) | 161-169 | |
P577 | publication date | 2008-04-11 | |
P1433 | published in | Journal of Molecular Graphics & Modelling | Q3186928 |
P1476 | title | Pharao: pharmacophore alignment and optimization. | |
P478 | volume | 27 |
Q41018716 | 3D Chemical Similarity Networks for Structure-Based Target Prediction and Scaffold Hopping |
Q50029498 | 3D-e-Chem: Structural Cheminformatics Workflows for Computer-Aided Drug Discovery. |
Q39865935 | A rotation-translation invariant molecular descriptor of partial charges and its use in ligand-based virtual screening |
Q57307431 | Chemical space of Escherichia coli dihydrofolate reductase inhibitors: New approaches for discovering novel drugs for old bugs |
Q36554718 | Choosing the Optimal Rigid Receptor for Docking and Scoring in the CSAR 2013/2014 Experiment |
Q35589799 | Computational and biophysical approaches to protein-protein interaction inhibition of Plasmodium falciparum AMA1/RON2 complex. |
Q42011227 | Development and validation of an improved algorithm for overlaying flexible molecules |
Q42680012 | Discovery by organism based high-throughput screening of new multi-stage compounds affecting Schistosoma mansoni viability, egg formation and production. |
Q57162600 | G-quadruplex virtual drug screening: A review |
Q41692303 | Implementing the "Best Template Searching" tool into Adenosiland platform |
Q51092695 | Insight into the structural requirements of pyrimidine-based phosphodiesterase 10A (PDE10A) inhibitors by multiple validated 3D QSAR approaches. |
Q35076245 | LIGSIFT: an open-source tool for ligand structural alignment and virtual screening |
Q52692628 | LS-align: an atom-level, flexible ligand structural alignment algorithm for high-throughput virtual screening. |
Q38896131 | Ligand-based virtual screening under partial shape constraints |
Q28598346 | Open source molecular modeling |
Q51544926 | Open3DALIGN: an open-source software aimed at unsupervised ligand alignment. |
Q36087114 | Pharmacophores in Drug Research. |
Q30043178 | Plasmodium falciparum CTP:phosphocholine cytidylyltransferase possesses two functional catalytic domains and is inhibited by a CDP-choline analog selected from a virtual screening |
Q30377334 | PoLi: A Virtual Screening Pipeline Based on Template Pocket and Ligand Similarity. |
Q46972435 | Quantitative structure-property relationship modeling of Grätzel solar cell dyes. |
Q58041489 | SPOT-Ligand: Fast and effective structure-based virtual screening by binding homology search according to ligand and receptor similarity |
Q28745255 | The power metric: a new statistically robust enrichment-type metric for virtual screening applications with early recovery capability |
Q42418633 | Training a scoring function for the alignment of small molecules |
Q39449589 | mRAISE: an alternative algorithmic approach to ligand-based virtual screening |
Search more.