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1
Ab initio force field for simulations of proteins and nucleic acids
Ab initio force field for simulations of proteins and nucleic acids
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Ab initio force field for simulations of proteins and nucleic acids

Aida, Misako ; Corongiu, Giorgina ; Clementi, Enrico

International journal of quantum chemistry, 1992-06, Vol.42 (5), p.1353-1381 [Periódico revisado por pares]

New York: John Wiley & Sons, Inc

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2
Modeling of real 20-component protein chains : determination of the electronic density of states of aperiodic seven-component polypeptide chains containing strongly different amino acid risidues
Modeling of real 20-component protein chains : determination of the electronic density of states of aperiodic seven-component polypeptide chains containing strongly different amino acid risidues
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Modeling of real 20-component protein chains : determination of the electronic density of states of aperiodic seven-component polypeptide chains containing strongly different amino acid risidues

BAKHSHI, A. K ; OTTO, P ; LIEGENER, C.-M ; REHM, E ; LADIK, J

International journal of quantum chemistry, 1990, Vol.38 (4), p.573-583 [Periódico revisado por pares]

New York, NY: John Wiley & Sons

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3
Stochastic dynamic simulation of a protein
Stochastic dynamic simulation of a protein
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Stochastic dynamic simulation of a protein

Bhattacharya, D. K. ; Clementi, E. ; Xue, W.

International journal of quantum chemistry, 1992-06, Vol.42 (5), p.1397-1408 [Periódico revisado por pares]

New York: John Wiley & Sons, Inc

Sem texto completo

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4
Theoretical prediction of sequence-dependent DNA superstructures and their implications in recognition mechanisms with proteins
Theoretical prediction of sequence-dependent DNA superstructures and their implications in recognition mechanisms with proteins
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Theoretical prediction of sequence-dependent DNA superstructures and their implications in recognition mechanisms with proteins

Boffelli, D. ; De Santis, P. ; Palleschi, A. ; Scipioni, A. ; Savino, M.

International journal of quantum chemistry, 1992-06, Vol.42 (5), p.1409-1426 [Periódico revisado por pares]

New York: John Wiley & Sons, Inc

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5
Some comments on H-bond dynamics in DNA base pairs
Some comments on H-bond dynamics in DNA base pairs
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Some comments on H-bond dynamics in DNA base pairs

Brändas, Erkki J.

International journal of quantum chemistry, 1993, Vol.46 (3), p.499-504 [Periódico revisado por pares]

New York: John Wiley & Sons, Inc

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6
Enthalpic and entropic contributions of water molecules to the functional T → R transition of human hemoglobin in solution
Enthalpic and entropic contributions of water molecules to the functional T → R transition of human hemoglobin in solution
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Enthalpic and entropic contributions of water molecules to the functional T → R transition of human hemoglobin in solution

Bulone, D. ; Palma-Vittorelli, M. B. ; Palma, M. U.

International journal of quantum chemistry, 1992-06, Vol.42 (5), p.1427-1437 [Periódico revisado por pares]

New York: John Wiley & Sons, Inc

Sem texto completo

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7
Analytical calculation of the electrostatic interaction energy within the CNDO framework
Analytical calculation of the electrostatic interaction energy within the CNDO framework
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Analytical calculation of the electrostatic interaction energy within the CNDO framework

Dehareng, D. ; Dive, G. ; Ghuysen, J. M.

International journal of quantum chemistry, 1993, Vol.46 (6), p.711-734 [Periódico revisado por pares]

New York: John Wiley & Sons, Inc

Sem texto completo

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8
Theoretical study on a series of push-pull molecules grafted on methacrylate copolymers serving for nonlinear optics
Theoretical study on a series of push-pull molecules grafted on methacrylate copolymers serving for nonlinear optics
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Theoretical study on a series of push-pull molecules grafted on methacrylate copolymers serving for nonlinear optics

Derrar, S. N. ; Sekkal-Rahal, M. ; Guemra, K. ; Derreumaux, P.

Int. J. Quantum Chem, 2012-08, Vol.112 (15), p.2735-2742 [Periódico revisado por pares]

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

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9
Proceedings of the 16th Brazilian symposium of theoretical chemistry
Proceedings of the 16th Brazilian symposium of theoretical chemistry
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Proceedings of the 16th Brazilian symposium of theoretical chemistry

Hélio Duarte Sylvio Canuto

International Journal of Quantum Chemistry New York v.112, n.19, p. 3131, jun.2012

New York Wiley 2012

Acesso online

10
The Debye-Waller factor: From villain to hero in protein crystallography
The Debye-Waller factor: From villain to hero in protein crystallography
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The Debye-Waller factor: From villain to hero in protein crystallography

Frauenfelder, Hans

International journal of quantum chemistry, 1989-06, Vol.35 (6), p.711-715 [Periódico revisado por pares]

New York: John Wiley & Sons, Inc

Sem texto completo

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