scholarly article | Q13442814 |
P819 | ADS bibcode | 2015PLoSO..1044635K |
P356 | DOI | 10.1371/JOURNAL.PONE.0144635 |
P932 | PMC publication ID | 4682841 |
P698 | PubMed publication ID | 26658674 |
P5875 | ResearchGate publication ID | 286988932 |
P2093 | author name string | Vivek Kumar | |
M Elizabeth Sobhia | |||
P2860 | cites work | Comparison of simple potential functions for simulating liquid water | Q26778447 |
Crystallographic studies on the binding of isonicotinyl-NAD adduct to wild-type and isoniazid resistant 2-trans-enoyl-ACP (CoA) reductase from Mycobacterium tuberculosis | Q27646374 | ||
Crystal structure and function of the isoniazid target of Mycobacterium tuberculosis | Q27730411 | ||
VMD: visual molecular dynamics | Q27860554 | ||
The Amber biomolecular simulation programs | Q27860745 | ||
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Transfer of a point mutation in Mycobacterium tuberculosis inhA resolves the target of isoniazid. | Q53590893 | ||
Mechanisms of isoniazid resistance in Mycobacterium tuberculosis: enzymatic characterization of enoyl reductase mutants identified in isoniazid-resistant clinical isolates. | Q54125830 | ||
Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems | Q56750591 | ||
Crystallographic and pre-steady-state kinetics studies on binding of NADH to wild-type and isoniazid-resistant enoyl-ACP(CoA) reductase enzymes from Mycobacterium tuberculosis | Q83220663 | ||
Binding free energy calculations between bovine β-lactoglobulin and four fatty acids using the MMGBSA method | Q87424924 | ||
Structural and energetic analysis to provide insight residues of CYP2C9, 2C11 and 2E1 involved in valproic acid dehydrogenation selectivity | Q87807928 | ||
inhA, a gene encoding a target for isoniazid and ethionamide in Mycobacterium tuberculosis | Q29617412 | ||
Characterization of domain-peptide interaction interface: prediction of SH3 domain-mediated protein-protein interaction network in yeast by generic structure-based models | Q30010144 | ||
Insights into protein-protein binding by binding free energy calculation and free energy decomposition for the Ras-Raf and Ras-RalGDS complexes. | Q30333153 | ||
What is the probability of a chance prediction of a protein structure with an rmsd of 6 A? | Q30430314 | ||
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Binding of a diverse set of ligands to avidin and streptavidin: an accurate quantitative prediction of their relative affinities by a combination of molecular mechanics and continuum solvent models | Q31446320 | ||
The Protein Data Bank. A computer-based archival file for macromolecular structures | Q33464259 | ||
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Contribution of dfrA and inhA mutations to the detection of isoniazid-resistant Mycobacterium tuberculosis isolates | Q37333132 | ||
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Exploration of fluoroquinolone resistance in Streptococcus pyogenes: comparative structure analysis of wild-type and mutant DNA gyrase. | Q38408892 | ||
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Homology modeling and molecular dynamics simulations of Dengue virus NS2B/NS3 protease: insight into molecular interaction | Q40382027 | ||
Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking | Q41921801 | ||
Predicting peptide vaccine candidates against H1N1 influenza virus through theoretical approaches. | Q42159681 | ||
Comparisons of experimental and computed protein anisotropic temperature factors | Q42630672 | ||
Molecular dynamics simulation studies of the wild-type, I21V, and I16T mutants of isoniazid-resistant Mycobacterium tuberculosis enoyl reductase (InhA) in complex with NADH: toward the understanding of NADH-InhA different affinities | Q43203047 | ||
P275 | copyright license | Creative Commons Attribution 4.0 International | Q20007257 |
P6216 | copyright status | copyrighted | Q50423863 |
P433 | issue | 12 | |
P407 | language of work or name | English | Q1860 |
P921 | main subject | Mycobacterium tuberculosis | Q130971 |
isoniazid | Q423169 | ||
molecular dynamics simulation | Q901663 | ||
P304 | page(s) | e0144635 | |
P577 | publication date | 2015-01-01 | |
P1433 | published in | PLOS One | Q564954 |
P1476 | title | Molecular Dynamics Assisted Mechanistic Study of Isoniazid-Resistance against Mycobacterium tuberculosis InhA | |
P478 | volume | 10 |
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