Successful molecular dynamics simulation of the zinc-bound farnesyltransferase using the cationic dummy atom approach.
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Structural Insights into HIV-1 Vif-APOBEC3F InteractionRNA Editing TUTase 1: structural foundation of substrate recognition, complex interactions and drug targetingThe Plasmodium falciparum malaria M1 alanyl aminopeptidase (PfA-M1): insights of catalytic mechanism and function from MD simulationsStructural analysis of viral infectivity factor of HIV type 1 and its interaction with A3G, EloC and EloBStructure and specificity of the bacterial cysteine methyltransferase effector NleE suggests a novel substrate in human DNA repair pathwayThe zinc dyshomeostasis hypothesis of Alzheimer's diseasePotent new small-molecule inhibitor of botulinum neurotoxin serotype A endopeptidase developed by synthesis-based computer-aided molecular designEvolving carbapenemases: can medicinal chemists advance one step ahead of the coming storm?Small molecules showing significant protection of mice against botulinum neurotoxin serotype AMetal Ion Modeling Using Classical MechanicsPrediction of structures of zinc-binding proteins through explicit modeling of metal coordination geometry.Dynamic changes in the secondary structure of ECE-1 and XCE account for their different substrate specificities.Computer-aided lead optimization: improved small-molecule inhibitor of the zinc endopeptidase of botulinum neurotoxin serotype AMissense mutations in the regulatory domain of PKC gamma: a new mechanism for dominant nonepisodic cerebellar ataxiaForce field independent metal parameters using a nonbonded dummy model.High tolerance to mutations in a Chlamydia trachomatis peptide deformylase loopComparison of structural, thermodynamic, kinetic and mass transport properties of Mg(2+) ion models commonly used in biomolecular simulations.Characterization of a pseudomonad 2-nitrobenzoate nitroreductase and its catabolic pathway-associated 2-hydroxylaminobenzoate mutase and a chemoreceptor involved in 2-nitrobenzoate chemotaxis.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.A theoretical investigation of DNA dynamics and desolvation kinetics for zinc finger proteinZif268.Phosphorylation Regulates the Bound Structure of an Intrinsically Disordered Protein: The p53-TAZ2 Case.Histidine pairing at the metal transport site of mammalian ZnT transporters controls Zn2+ over Cd2+ selectivity.Apo and nickel-bound forms of the Pyrococcus horikoshii species of the metalloregulatory protein: NikR characterized by molecular dynamics simulations.Metal Stabilization of Collagen and de Novo Designed Mimetic PeptidesModeling catalytic promiscuity in the alkaline phosphatase superfamily.A Transferable Non-bonded Pairwise Force Field to Model Zinc Interactions in Metalloproteins.Structural Survey of Zinc Containing Proteins and the Development of the Zinc AMBER Force Field (ZAFF).A combination of docking, QM/MM methods, and MD simulation for binding affinity estimation of metalloprotein ligands.Computational studies of the farnesyltransferase ternary complex part I: substrate binding.Low-mass molecular dynamics simulation for configurational sampling enhancement: More evidence and theoretical explanation.Development of CHARMM-Compatible Force-Field Parameters for Cobalamin and Related Cofactors from Quantum Mechanical Calculations.
P2860
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P2860
Successful molecular dynamics simulation of the zinc-bound farnesyltransferase using the cationic dummy atom approach.
description
2000 nî lūn-bûn
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2000年の論文
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2000年論文
@yue
2000年論文
@zh-hant
2000年論文
@zh-hk
2000年論文
@zh-mo
2000年論文
@zh-tw
2000年论文
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2000年论文
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name
Successful molecular dynamics ...... cationic dummy atom approach.
@en
Successful molecular dynamics ...... cationic dummy atom approach.
@nl
type
label
Successful molecular dynamics ...... cationic dummy atom approach.
@en
Successful molecular dynamics ...... cationic dummy atom approach.
@nl
prefLabel
Successful molecular dynamics ...... cationic dummy atom approach.
@en
Successful molecular dynamics ...... cationic dummy atom approach.
@nl
P2093
P2860
P1433
P1476
Successful molecular dynamics ...... e cationic dummy atom approach
@en
P2093
P2860
P304
P577
2000-10-01T00:00:00Z