Magnesium-cationic dummy atom molecules enhance representation of DNA polymerase beta in molecular dynamics simulations: improved accuracy in studies of structural features and mutational effects.
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QM/MM molecular dynamics studies of metal binding proteinsMolecular dynamics study of the opening mechanism for DNA polymerase IBidentate and tridentate metal-ion coordination states within ternary complexes of RB69 DNA polymeraseDevelopment of a multisite model for Ni(II) ion in solution from thermodynamic and kinetic data.Metal Ion Modeling Using Classical MechanicsAbsolute binding free energy calculations: on the accuracy of computational scoring of protein-ligand interactionsForce field independent metal parameters using a nonbonded dummy model.Convergent transmission of RNAi guide-target mismatch information across Argonaute internal allosteric network.Comparison of structural, thermodynamic, kinetic and mass transport properties of Mg(2+) ion models commonly used in biomolecular simulations.Accommodation of an N-(deoxyguanosin-8-yl)-2-acetylaminofluorene adduct in the active site of human DNA polymerase iota: Hoogsteen or Watson-Crick base pairing?Divalent Ion Dependent Conformational Changes in an RNA Stem-Loop Observed by Molecular DynamicsOn the origin of the catalytic power of carboxypeptidase A and other metalloenzymes.Why nature really chose phosphate.The control of the discrimination between dNTP and rNTP in DNA and RNA polymerase.Electrostatic origin of the catalytic effect of a supramolecular host catalyst.A binding free energy decomposition approach for accurate calculations of the fidelity of DNA polymerases.Thermodynamic basis of selectivity in guide-target-mismatched RNA interference.Modeling catalytic promiscuity in the alkaline phosphatase superfamily.Development and Application of a Nonbonded Cu(2+) Model That Includes the Jahn-Teller EffectMagnesium-induced nucleophile activation in the guanylyltransferase mRNA capping enzyme.How calcium inhibits the magnesium-dependent kinase gsk3β: a molecular simulation study.Extending the Nonbonded Cationic Dummy Model to Account for Ion-Induced Dipole Interactions.Substrate recognition by norovirus polymerase: microsecond molecular dynamics study.Inhibition of HIV-1 and M-MLV reverse transcriptases by a major polyphenol (3,4,5 tri-O-galloylquinic acid) present in the leaves of the South African resurrection plant, Myrothamnus flabellifolia.RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview.Molecular simulations of self-assembly processes in metal-organic frameworks: Model dependence.Clarifying binding difference of ATP and ADP to extracellular signal-regulated kinase 2 by using molecular dynamics simulations.Communications: Electron polarization critically stabilizes the Mg2+ complex in the catalytic core domain of HIV-1 integrase.Functional roles of magnesium binding to extracellular signal-regulated kinase 2 explored by molecular dynamics simulations and principal component analysis.Correlation between electron localization and metal ion mutagenicity in DNA synthesis from QM/MM calculations.Multiple proton relay routes in the reaction mechanism of RNAP II: assessing the effect of structural model.
P2860
Q26823476-5EE21CD1-D6C0-4184-B9A5-C58020FE0BE7Q27320227-F8FE2D1C-1D64-4146-B9C9-7CCABC37D4EEQ27676693-ED540215-67D9-41B7-B961-3E5810E50945Q30101000-B3CA7063-AD9A-4B8F-B20A-F041CCD57860Q30363020-976B492C-53F0-4145-8830-92D31F555A84Q30386091-5B61505D-7F46-42FB-83AF-1FF7C3463110Q34267064-FB40EC6E-D905-4FC0-ADA6-265DB23DD908Q34426370-E254B428-4B5D-4D52-A19F-0A1348781B39Q35537362-AC0EAAFA-3859-47C9-BE2C-5162A99C96C8Q37073551-EE359AC8-FC4A-4B3E-A9CB-93DBD5707406Q37093260-8650544A-5D3E-4E3B-A686-51EAFDC8F031Q37399660-A63C3968-29D1-47CF-BB2E-22E194CF5DADQ38073986-745B15DF-C946-47FC-AA09-6E1C7E0B5FCBQ40533640-4A6876F1-92E4-4EBA-9F39-7E026CCCB64BQ41778737-236B7A95-FD05-4C67-82E3-D05A2E2A9FEDQ41867652-59C590DA-2106-4CD2-A5DA-4ACD38208981Q41980771-A99E5E07-561B-4461-9BE4-6C16E4FB9B28Q42024162-441AF68D-0C90-4BD9-99B3-61E68D46EC45Q42352954-57DEEBFB-09BA-484B-95DA-42BD8CC981ABQ42846412-EB3B6CAA-693F-4D55-A6DC-4AC3D0B0F09DQ45395599-99A0CA1A-BDAD-4C52-BA6E-A8BBCFFC86D0Q45455183-C0B9BBC4-A8DF-476A-A96E-C768BE84848BQ45903781-46209CC3-76EC-4221-AF3D-322A8C61434BQ46880909-6AA499EA-CED5-4BC4-8620-83B78A38305EQ47235409-FD0F9DE5-7E67-4B5F-937A-14AF44FECC91Q48311618-4327DB5F-8EDE-4854-9E94-47781954223AQ51437778-5A5B5414-DDA9-4EF4-B8C0-2BB29D89AB0CQ51705033-5E049F14-F776-4E2D-BF5A-5A9527CA7087Q53605638-34C90411-294F-4544-BD9A-68BDE38D525EQ54590413-9AF0001E-4047-4D5D-BF8E-CB1C8738FA1EQ55070133-E33B4C12-9231-43BA-87A5-C0E2B5F13319
P2860
Magnesium-cationic dummy atom molecules enhance representation of DNA polymerase beta in molecular dynamics simulations: improved accuracy in studies of structural features and mutational effects.
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年論文
@yue
2006年論文
@zh-hant
2006年論文
@zh-hk
2006年論文
@zh-mo
2006年論文
@zh-tw
2006年论文
@wuu
2006年论文
@zh
2006年论文
@zh-cn
name
Magnesium-cationic dummy atom ...... atures and mutational effects.
@ast
Magnesium-cationic dummy atom ...... atures and mutational effects.
@en
type
label
Magnesium-cationic dummy atom ...... atures and mutational effects.
@ast
Magnesium-cationic dummy atom ...... atures and mutational effects.
@en
prefLabel
Magnesium-cationic dummy atom ...... atures and mutational effects.
@ast
Magnesium-cationic dummy atom ...... atures and mutational effects.
@en
P2093
P2860
P1476
Magnesium-cationic dummy atom ...... atures and mutational effects.
@en
P2093
Marco Klahn
Peter Oelschlaeger
Samuel H Wilson
William A Beard
P2860
P304
P356
10.1016/J.JMB.2006.10.095
P407
P577
2006-11-03T00:00:00Z