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Refinado por: data de publicação: 2000Até2011 remover assunto: Md Simulation remover
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1
Full correlation analysis of conformational protein dynamics
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Full correlation analysis of conformational protein dynamics

Lange, Oliver F. ; Grubmüller, Helmut

Proteins, structure, function, and bioinformatics, 2008-03, Vol.70 (4), p.1294-1312 [Periódico revisado por pares]

Hoboken: Wiley Subscription Services, Inc., A Wiley Company

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2
Molecular Dynamics Simulations of Viral RNA Polymerases Link Conserved and Correlated Motions of Functional Elements to Fidelity
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Molecular Dynamics Simulations of Viral RNA Polymerases Link Conserved and Correlated Motions of Functional Elements to Fidelity

Moustafa, Ibrahim M. ; Shen, Hujun ; Morton, Brandon ; Colina, Coray M. ; Cameron, Craig E.

Journal of molecular biology, 2011-07, Vol.410 (1), p.159-181 [Periódico revisado por pares]

England: Elsevier Ltd

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3
Outer membrane protein G: Engineering a quiet pore for biosensing
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Outer membrane protein G: Engineering a quiet pore for biosensing

Chen, Min ; Khalid, Syma ; Sansom, Mark S.P ; Bayley, Hagan

Proceedings of the National Academy of Sciences - PNAS, 2008-04, Vol.105 (17), p.6272-6277 [Periódico revisado por pares]

United States: National Academy of Sciences

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4
A challenging system: Free energy prediction for factor Xa
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A challenging system: Free energy prediction for factor Xa

Wallnoefer, Hannes G. ; Liedl, Klaus R. ; Fox, Thomas

Journal of computational chemistry, 2011-06, Vol.32 (8), p.1743-1752 [Periódico revisado por pares]

Hoboken: Wiley Subscription Services, Inc., A Wiley Company

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5
Mechanical Unfolding of TNfn3: The Unfolding Pathway of a fnIII Domain Probed by Protein Engineering, AFM and MD Simulation
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Mechanical Unfolding of TNfn3: The Unfolding Pathway of a fnIII Domain Probed by Protein Engineering, AFM and MD Simulation

Ng, Sean P. ; Rounsevell, Ross W.S. ; Steward, Annette ; Geierhaas, Christian D. ; Williams, Philip M. ; Paci, Emanuele ; Clarke, Jane

Journal of molecular biology, 2005-07, Vol.350 (4), p.776-789 [Periódico revisado por pares]

England: Elsevier Ltd

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6
Molecular dynamics simulation on ion-pair association of NaCl from ambient to supercritical water
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Molecular dynamics simulation on ion-pair association of NaCl from ambient to supercritical water

Yui, Kazuko ; Sakuma, Masaki ; Funazukuri, Toshitaka

Fluid phase equilibria, 2010-10, Vol.297 (2), p.227-235 [Periódico revisado por pares]

Amsterdam: Elsevier B.V

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7
Conformational preferences in diglycosyl disulfides: NMR and molecular modeling studies
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Conformational preferences in diglycosyl disulfides: NMR and molecular modeling studies

Fehér, Krisztina ; Matthews, Richard P. ; Kövér, Katalin E. ; Naidoo, Kevin J. ; Szilágyi, László

Carbohydrate research, 2011-11, Vol.346 (16), p.2612-2621 [Periódico revisado por pares]

Netherlands: Elsevier Ltd

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8
Plasma–surface interactions for advanced plasma etching processes in nanoscale ULSI device fabrication: A numerical and experimental study
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Plasma–surface interactions for advanced plasma etching processes in nanoscale ULSI device fabrication: A numerical and experimental study

Ono, Kouichi ; Ohta, Hiroaki ; Eriguchi, Koji

Thin solid films, 2010-04, Vol.518 (13), p.3461-3468 [Periódico revisado por pares]

Amsterdam: Elsevier B.V

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9
Modifying the OPLS-AA force field to improve hydration free energies for several amino acid side chains using new atomic charges and an off-plane charge model for aromatic residues
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Modifying the OPLS-AA force field to improve hydration free energies for several amino acid side chains using new atomic charges and an off-plane charge model for aromatic residues

Xu, Zhitao ; Luo, Harry H. ; Tieleman, D. Peter

Journal of computational chemistry, 2007-02, Vol.28 (3), p.689-697 [Periódico revisado por pares]

Hoboken: Wiley Subscription Services, Inc., A Wiley Company

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10
Cross relaxation in liquid methanol
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Cross relaxation in liquid methanol

Gerig, J.T.

Journal of magnetic resonance (1997), 2011-06, Vol.210 (2), p.171-176 [Periódico revisado por pares]

United States: Elsevier Inc

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