Construction and assessment of reaction models of class I EPSP synthase: molecular docking and density functional theoretical calculations.
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Structure and stability analysis of cytotoxic complex of camel α-lactalbumin and unsaturated fatty acids produced at high temperature.Virtual screening and drug design for PDE-5 receptor from traditional Chinese medicine database.In search of allosteric modulators of a7-nAChR by solvent density guided virtual screening.First principles calculations of thermodynamics and kinetic parameters and molecular dynamics simulations of acetylcholinesterase reactivators: can mouse data provide new insights into humans?Virus-mPLoc: a fusion classifier for viral protein subcellular location prediction by incorporating multiple sites.Biological evaluation and interaction of a newly designed anti-cancer Pd(II) complex and human serum albumin.Anti-infectious bronchitis virus (IBV) activity of 1,8-cineole: effect on nucleocapsid (N) protein.Mechanistic studies of new oximes reactivators of human butyryl cholinesterase inhibited by cyclosarin and sarin.Combined experimental and theoretical study on the removal of pollutant compounds by peroxidases: affinity and reactivity toward a bioremediation catalyst.Molecular modeling studies of Yersinia pestis dihydrofolate reductase.Docking studies on the binding of quinoline derivatives and hematin to Plasmodium falciparum lactate dehydrogenase.Molecular docking studies to map the binding site of squalene synthase inhibitors on dehydrosqualene synthase of Staphylococcus aureus.A novel strategy for designing the selective PPAR agonist by the "sum of activity" model.Molecular modeling of Mycobacterium tuberculosis DNA gyrase and its molecular docking study with gatifloxacin inhibitors.Molecular modeling of Mycobacterium tuberculosis dUTpase: docking and catalytic mechanism studies.Molecular modeling and in vitro reactivation study between the oxime BI-6 and acetylcholinesterase inhibited by different nerve agents.Insight into the inhibitory mechanism and binding mode between D77 and HIV-1 integrase by molecular modeling methods.Peculiarities of copper binding to alpha-synuclein.Design of new chemotherapeutics against the deadly anthrax disease. Docking and molecular dynamics studies of inhibitors containing pyrrolidine and riboamidrazone rings on nucleoside hydrolase from Bacillus anthracis.Reactivation steps by 2-PAM of tabun-inhibited human acetylcholinesterase: reducing the computational cost in hybrid QM/MM methods.Construction and assessment of reaction models between F₁F₀-synthase and organotin compounds: molecular docking and quantum calculations.Potent inhibitor design against H1N1 swine influenza: structure-based and molecular dynamics analysis for M2 inhibitors from traditional Chinese medicine database.Molecular modeling studies on nucleoside hydrolase from the biological warfare agent Brucella suis.Biphasic association of T7 RNA polymerase and a nucleotide analogue, cibacron blue as a model to understand the role of initiating nucleotide in the mechanism of enzyme action.A newly developed oxime K203 is the most effective reactivator of tabun-inhibited acetylcholinesterase.Mechanism of the activation step of the aminoacylation reaction: a significant difference between class I and class II synthetases.BetaDock: shape-priority docking method based on beta-complex.Compounds of the 1,5-di(4-R-phenyl)- 3-selenopentanediones-1,5 series interaction with the basidiomycete Lentinula edodes lectins: computations and experiment.Pharmacophore modeling and hybrid virtual screening for the discovery of novel IκB kinase 2 (IKK2) inhibitors.Theoretical Studies Applied to the Evaluation of the DFPase Bioremediation Potential against Chemical Warfare Agents Intoxication.Construction and assessment of reaction models of Class I EPSP synthase. Part II: investigation of the EPSP ketal
P2860
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P2860
Construction and assessment of reaction models of class I EPSP synthase: molecular docking and density functional theoretical calculations.
description
2009 nî lūn-bûn
@nan
2009年の論文
@ja
2009年学术文章
@wuu
2009年学术文章
@zh
2009年学术文章
@zh-cn
2009年学术文章
@zh-hans
2009年学术文章
@zh-my
2009年学术文章
@zh-sg
2009年學術文章
@yue
2009年學術文章
@zh-hant
name
Construction and assessment of ...... onal theoretical calculations.
@en
Construction and assessment of ...... onal theoretical calculations.
@nl
type
label
Construction and assessment of ...... onal theoretical calculations.
@en
Construction and assessment of ...... onal theoretical calculations.
@nl
prefLabel
Construction and assessment of ...... onal theoretical calculations.
@en
Construction and assessment of ...... onal theoretical calculations.
@nl
P2093
P2860
P1476
Construction and assessment of ...... onal theoretical calculations.
@en
P2093
Elaine F F da Cunha
Marcus V J Rocha
Melissa S Caetano
Teodorico C Ramalho
Thais C S Souza
P2860
P304
P356
10.1080/07391102.2009.10507309
P577
2009-10-01T00:00:00Z