A semiempirical free energy force field with charge-based desolvation
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Dibutyltin disrupts glucocorticoid receptor function and impairs glucocorticoid-induced suppression of cytokine production3D models of MBP, a biologically active metabolite of bisphenol A, in human estrogen receptor α and estrogen receptor βStructural basis for the growth factor activity of human adenosine deaminase ADA2Structure and function of human DnaJ homologue subfamily a member 1 (DNAJA1) and its relationship to pancreatic cancerVnD: a structure-centric database of disease-related SNPs and drugsAbscisic acid regulates inflammation via ligand-binding domain-independent activation of peroxisome proliferator-activated receptor gammaComputational methods in drug discoverySwissParam: A fast force field generation tool for small organic moleculesComputable features required to evaluate the efficacy of drugs and a universal algorithm to find optimally effective drug in a drug complexA new drug design targeting the adenosinergic system for Huntington's diseaseInhibition of Mycobacterium-RmlA by Molecular Modeling, Dynamics Simulation, and Docking.Heparin-induced cis- and trans-Dimerization Modes of the Thrombospondin-1 N-terminal DomainStructural and Functional Characterization of the C-Terminal Domain of the Ecdysteroid Phosphate Phosphatase from Bombyx mori Reveals a New Enzymatic Activity †Structural Underpinnings of Nitrogen Regulation by the Prototypical Nitrogen-Responsive Transcriptional Factor NrpRTyrosine aminotransferase: biochemical and structural properties and molecular dynamics simulationsCrystal structure of a secreted lipase from Gibberella zeae reveals a novel “double-lock” mechanismOptimization of the In-Silico-Designed Kemp Eliminase KE70 by Computational Design and Directed EvolutionThe Nudix Hydrolase CDP-Chase, a CDP-Choline Pyrophosphatase, Is an Asymmetric Dimer with Two Distinct Enzymatic ActivitiesStructural and Functional Characterization of the Kindlin-1 Pleckstrin Homology DomainStructural Basis for Norovirus Inhibition and Fucose Mimicry by CitrateThe N termini of a-subunit isoforms are involved in signaling between vacuolar H+-ATPase (V-ATPase) and cytohesin-2.Toward Understanding the Outer Membrane Uptake of Small Molecules by Pseudomonas aeruginosa(+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant MiceApplication of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDockStructure-function analysis for the hydroxylation of Δ4 C21-steroids by the myxobacterial CYP260B1Hydrolysis of the phosphoanhydride linkage of cyclic ADP-ribose by the Mn(2+)-dependent ADP-ribose/CDP-alcohol pyrophosphataseFirst-in-Class Inhibitors of Sulfur Metabolism with Bactericidal Activity against Non-Replicating M. tuberculosisConformational transitions upon ligand binding: holo-structure prediction from apo conformationsDiscovery of fragment molecules that bind the human peroxiredoxin 5 active siteVirtual screening for HIV protease inhibitors: a comparison of AutoDock 4 and VinaA kernel for open source drug discovery in tropical diseasesIdentification of a negative allosteric site on human α4β2 and α3β4 neuronal nicotinic acetylcholine receptorsMechanisms of loss of functions of human angiogenin variants implicated in amyotrophic lateral sclerosisUnderstanding the basis of drug resistance of the mutants of αβ-tubulin dimer via molecular dynamics simulationsMolecular dynamics simulation study and hybrid pharmacophore model development in human LTA4H inhibitor designModeling of arylamide helix mimetics in the p53 peptide binding site of hDM2 suggests parallel and anti-parallel conformations are both stable.Homology modeling of dopamine D2 and D3 receptors: molecular dynamics refinement and docking evaluationThe molecular mechanism of action of the CR6261-Azichromycin combination found through computational analysisMolecular modeling study for inhibition mechanism of human chymase and its application in inhibitor designStructure and stability of human telomeric G-quadruplex with preclinical 9-amino acridines
P2860
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P2860
A semiempirical free energy force field with charge-based desolvation
description
2007 nî lūn-bûn
@nan
2007 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2007 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
name
A semiempirical free energy force field with charge-based desolvation
@ast
A semiempirical free energy force field with charge-based desolvation
@en
type
label
A semiempirical free energy force field with charge-based desolvation
@ast
A semiempirical free energy force field with charge-based desolvation
@en
prefLabel
A semiempirical free energy force field with charge-based desolvation
@ast
A semiempirical free energy force field with charge-based desolvation
@en
P2093
P3181
P356
P1476
A semiempirical free energy force field with charge-based desolvation
@en
P2093
Arthur J Olson
David S Goodsell
P304
P3181
P356
10.1002/JCC.20634
P407
P577
2007-04-01T00:00:00Z