| scholarly article | Q13442814 |
| P356 | DOI | 10.1007/S00894-018-3746-0 |
| P2888 | exact match | https://scigraph.springernature.com/pub.10.1007/s00894-018-3746-0 |
| P698 | PubMed publication ID | 30056475 |
| P2093 | author name string | Manoelito Coelho Dos Santos Junior | |
| Larissa de Mattos Oliveira | |||
| Franco Henrique Andrade Leite | |||
| Angelo Amâncio Duarte | |||
| David Bacelar Costa Junior | |||
| Isis Bugia Santana | |||
| Bruno Cruz de Souza | |||
| Janay Stefany Carneiro Araujo | |||
| Pedro Sousa Lacerda | |||
| P2860 | cites work | T-Coffee: a web server for the multiple sequence alignment of protein and RNA sequences using structural information and homology extension | Q24603117 |
| Improved side-chain torsion potentials for the Amber ff99SB protein force field | Q24616749 | ||
| Antimalarial drug resistance: An overview | Q26753085 | ||
| A structure-based mechanism for copper-zinc superoxide dismutase | Q27639804 | ||
| AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading | Q27860652 | ||
| UCSF Chimera--a visualization system for exploratory research and analysis | Q27860666 | ||
| GROMACS: fast, flexible, and free | Q27860998 | ||
| Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings | Q27861111 | ||
| Predictiveness curves in virtual screening | Q27902344 | ||
| Prediction of the P. falciparum target space relevant to malaria drug discovery | Q28534474 | ||
| ZINC 15--Ligand Discovery for Everyone | Q28607096 | ||
| Recommendations for evaluation of computational methods | Q28755020 | ||
| AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility | Q29547658 | ||
| Knowledge-based protein secondary structure assignment | Q29547838 | ||
| ZINC: a free tool to discover chemistry for biology | Q29615857 | ||
| Binding site detection and druggability prediction of protein targets for structure-based drug design | Q30422561 | ||
| Screening of Plasmodium falciparum iron superoxide dismutase inhibitors and accuracy of the SOD-assays | Q33194697 | ||
| The crystal structure of superoxide dismutase from Plasmodium falciparum | Q33259345 | ||
| Protein-ligand-based pharmacophores: generation and utility assessment in computational ligand profiling | Q34223081 | ||
| A geometric approach to macromolecule-ligand interactions | Q34280176 | ||
| Loss of pH control in Plasmodium falciparum parasites subjected to oxidative stress | Q34639441 | ||
| Reviewing ligand-based rational drug design: the search for an ATP synthase inhibitor | Q35229529 | ||
| PLIP: fully automated protein-ligand interaction profiler | Q35601315 | ||
| DOCK 6: Impact of new features and current docking performance | Q35748554 | ||
| Computational Advances for the Development of Allosteric Modulators and Bitopic Ligands in G Protein-Coupled Receptors | Q35967903 | ||
| Side Effects of Chloroquine and Primaquine and Symptom Reduction in Malaria Endemic Area (Mâncio Lima, Acre, Brazil) | Q36015286 | ||
| Human superoxide dismutase 1 (hSOD1) maturation through interaction with human copper chaperone for SOD1 (hCCS) | Q36187334 | ||
| Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent | Q37058615 | ||
| Virtual screening strategies in drug discovery: a critical review. | Q38104785 | ||
| Assessing the performance of 3D pharmacophore models in virtual screening: how good are they? | Q38104822 | ||
| Superoxide dismutase administration, a potential therapy against oxidative stress related diseases: several routes of supplementation and proposal of an original mechanism of action | Q38116449 | ||
| Extensive differential protein phosphorylation as intraerythrocytic Plasmodium falciparum schizonts develop into extracellular invasive merozoites | Q38413046 | ||
| Successful application of virtual screening and molecular dynamics simulations against antimalarial molecular targets | Q38725948 | ||
| Malaria: Biology and Disease | Q38955307 | ||
| Effect of Oxidative Damage on the Stability and Dimerization of Superoxide Dismutase 1. | Q40248187 | ||
| A Molecular Dynamics Study of Allosteric Transitions in Leishmania mexicana Pyruvate Kinase | Q42150046 | ||
| Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking | Q42251037 | ||
| Allosite: a method for predicting allosteric sites | Q43492056 | ||
| In vitro leishmanicidal activity of imidazole- or pyrazole-based benzo[g]phthalazine derivatives against Leishmania infantum and Leishmania braziliensis species | Q43825962 | ||
| "Recycling" classical drugs for malaria | Q47887437 | ||
| Virtual Screening Techniques to Probe the Antimalarial Activity of some Traditionally Used Phytochemicals | Q47956135 | ||
| An evaluation of the implementation of the Cramer classification scheme in the Toxtree software | Q52227990 | ||
| An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0 | Q57204661 | ||
| Molecular Dynamics Simulations of the Enzyme Cu, Zn Superoxide Dismutase | Q57991250 | ||
| The rational design of specific SOD1 inhibitors via copper coordination and their application in ROS signaling research. | Q64923876 | ||
| Folding-unfolding thermodynamics of a beta-heptapeptide from equilibrium simulations | Q74452346 | ||
| Ligand-based pharmacophore model of N-Aryl and N-Heteroaryl piperazine alpha 1A-adrenoceptors antagonists using GALAHAD | Q84385649 | ||
| 3D-QSAR (CoMFA and CoMSIA) and pharmacophore (GALAHAD) studies on the differential inhibition of aldose reductase by flavonoid compounds | Q85072273 | ||
| P433 | issue | 8 | |
| P407 | language of work or name | English | Q1860 |
| P921 | main subject | virtual screening | Q4112105 |
| Plasmodium falciparum | Q311383 | ||
| allosteric inhibitor | Q70361704 | ||
| P304 | page(s) | 220 | |
| P577 | publication date | 2018-07-28 | |
| P1433 | published in | Journal of Molecular Modeling | Q1709860 |
| P1476 | title | Identification of new promising Plasmodium falciparum superoxide dismutase allosteric inhibitors through hierarchical pharmacophore-based virtual screening and molecular dynamics | |
| P478 | volume | 24 |
| Q91713632 | Pharmacophore-Based Virtual Screening Toward the Discovery of Novel Anti-echinococcal Compounds | cites work | P2860 |
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