about
An Allosteric Circuit in Caspase-1RAC1P29S is a spontaneously activating cancer-associated GTPaseOn possible pitfalls in ab initio quantum mechanics/molecular mechanics minimization approaches for studies of enzymatic reactionsComputer simulations of protein functions: searching for the molecular origin of the replication fidelity of DNA polymerasesEmpirical valence bond simulations of the chemical mechanism of ATP to cAMP conversion by anthrax edema factor.(19)F NMR and DFT Analysis Reveal Structural and Electronic Transition State Features for RhoA-Catalyzed GTP HydrolysisExploring challenges in rational enzyme design by simulating the catalysis in artificial kemp eliminase.Quantum mechanics/molecular mechanics investigation of the mechanism of phosphate transfer in human uridine-cytidine kinase 2.Challenges and advances in validating enzyme design proposals: the case of kemp eliminase catalysisConverting structural information into an allosteric-energy-based picture for elongation factor Tu activation by the ribosome.A phosphoryl transfer intermediate in the GTPase reaction of Ras in complex with its GTPase-activating proteinTowards quantitative computer-aided studies of enzymatic enantioselectivity: the case of Candida antarctica lipase A.Overview of simulation studies on the enzymatic activity and conformational dynamics of the GTPase Ras.Ras and GTPase-activating protein (GAP) drive GTP into a precatalytic state as revealed by combining FTIR and biomolecular simulations.Mapping the nucleotide and isoform-dependent structural and dynamical features of Ras proteins.QM/MM Minimum Free Energy Path: Methodology and Application to Triosephosphate IsomeraseMechanism of the chemical step for the guanosine triphosphate (GTP) hydrolysis catalyzed by elongation factor TuProgress in ab initio QM/MM free-energy simulations of electrostatic energies in proteins: accelerated QM/MM studies of pKa, redox reactions and solvation free energiesQuantifying the mechanism of phosphate monoester hydrolysis in aqueous solution by evaluating the relevant ab initio QM/MM free-energy surfaces.Lessons from computer simulations of Ras proteins in solution and in membraneQuantitative exploration of the molecular origin of the activation of GTPase.Why nature really chose phosphate.Invited review: Activation of G proteins by GTP and the mechanism of Gα-catalyzed GTP hydrolysis.Distinct dynamics and interaction patterns in H- and K-Ras oncogenic P-loop mutants.Metal Fluorides as Analogues for Studies on Phosphoryl Transfer Enzymes.Metal Fluorides: Tools for Structural and Computational Analysis of Phosphoryl Transfer Enzymes.Theoretical IR spectroscopy based on QM/MM calculations provides changes in charge distribution, bond lengths, and bond angles of the GTP ligand induced by the Ras-protein.The role of magnesium for geometry and charge in GTP hydrolysis, revealed by quantum mechanics/molecular mechanics simulations.Through the channel and around the channel: Validating and comparing microscopic approaches for the evaluation of free energy profiles for ion penetration through ion channels.A hybrid elastic band string algorithm for studies of enzymatic reactions.Dynamics and control of the ERK signaling pathway: Sensitivity, bistability, and oscillations.Response to Comment on "The Mechanism for Activation of GTP Hydrolysis on the Ribosome"Prechemistry barriers and checkpoints do not contribute to fidelity and catalysis as long as they are not rate limiting
P2860
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P2860
description
2004 nî lūn-bûn
@nan
2004 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2004 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2004年の論文
@ja
2004年論文
@yue
2004年論文
@zh-hant
2004年論文
@zh-hk
2004年論文
@zh-mo
2004年論文
@zh-tw
2004年论文
@wuu
name
Why does the Ras switch "break" by oncogenic mutations?
@ast
Why does the Ras switch "break" by oncogenic mutations?
@en
type
label
Why does the Ras switch "break" by oncogenic mutations?
@ast
Why does the Ras switch "break" by oncogenic mutations?
@en
prefLabel
Why does the Ras switch "break" by oncogenic mutations?
@ast
Why does the Ras switch "break" by oncogenic mutations?
@en
P356
P1433
P1476
Why does the Ras switch "break" by oncogenic mutations?
@en
P2093
Avital Shurki
P356
10.1002/PROT.20004
P407
P577
2004-04-01T00:00:00Z