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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

2
Computational investigation of the role of hydration in nucleic acid structure and function
Computational investigation of the role of hydration in nucleic acid structure and function
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Computational investigation of the role of hydration in nucleic acid structure and function

Poltev, V. I. ; Teplukhin, A. V. ; Malenkov, G. G.

International journal of quantum chemistry, 1992-06, Vol.42 (5), p.1499-1514 [Periódico revisado por pares]

New York: John Wiley & Sons, Inc

Sem texto completo

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3
Fluorescence lifetime distribution of folded and unfolded proteins
Fluorescence lifetime distribution of folded and unfolded proteins
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Fluorescence lifetime distribution of folded and unfolded proteins

Gratton, E. ; Silva, N. ; Mei, G. ; Rosato, N. ; Savini, I. ; Finazzi-Agro, A.

International journal of quantum chemistry, 1992-06, Vol.42 (5), p.1479-1489 [Periódico revisado por pares]

New York: John Wiley & Sons, Inc

Sem texto completo

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4
A general algorithm for computing Voronoi volumes: Application to the hydrated crystal of myoglobin
A general algorithm for computing Voronoi volumes: Application to the hydrated crystal of myoglobin
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A general algorithm for computing Voronoi volumes: Application to the hydrated crystal of myoglobin

Procacci, Piero ; Scateni, Riccardo

International journal of quantum chemistry, 1992-06, Vol.42 (5), p.1515-1528 [Periódico revisado por pares]

New York: John Wiley & Sons, Inc

Sem texto completo

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5
Polarizable continuum model of solvation for biopolymers
Polarizable continuum model of solvation for biopolymers
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Polarizable continuum model of solvation for biopolymers

Frecer, Vladimír ; Miertuš, Stanislav

International journal of quantum chemistry, 1992-06, Vol.42 (5), p.1449-1468 [Periódico revisado por pares]

New York: John Wiley & Sons, Inc

Sem texto completo

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6
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

Sem texto completo

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7
Some approaches to the multiple-minima problem in the calculation of polypeptide and protein structures
Some approaches to the multiple-minima problem in the calculation of polypeptide and protein structures
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Some approaches to the multiple-minima problem in the calculation of polypeptide and protein structures

Scheraga, Harold A.

International journal of quantum chemistry, 1992-06, Vol.42 (5), p.1529-1536 [Periódico revisado por pares]

New York: John Wiley & Sons, Inc

Sem texto completo

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8
Electronic structure of DNA dimer units, d(AA) · d(TT), d(TA)2, and d(AT)2, in A and B conformations by DV-Xα cluster calculations
Electronic structure of DNA dimer units, d(AA) · d(TT), d(TA)2, and d(AT)2, in A and B conformations by DV-Xα cluster calculations
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Electronic structure of DNA dimer units, d(AA) · d(TT), d(TA)2, and d(AT)2, in A and B conformations by DV-Xα cluster calculations

Shinoda, Takako ; Shima, Nobuyuki ; Tsukada, Masaru

International journal of quantum chemistry, 1993-07, Vol.47 (1), p.59-84 [Periódico revisado por pares]

New York: John Wiley & Sons, Inc

Sem texto completo

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9
Computational studies on aspartic proteases. I. Active-site protonation and hydration in the substrate-free crystalline state
Computational studies on aspartic proteases. I. Active-site protonation and hydration in the substrate-free crystalline state
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Computational studies on aspartic proteases. I. Active-site protonation and hydration in the substrate-free crystalline state

Turi, László ; Náray-Szabó, Gábor

International journal of quantum chemistry, 1992-06, Vol.42 (5), p.1537-1551 [Periódico revisado por pares]

New York: John Wiley & Sons, Inc

Sem texto completo

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10
Modeling solvent effects in molecular dynamics simulations of proteins
Modeling solvent effects in molecular dynamics simulations of proteins
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Modeling solvent effects in molecular dynamics simulations of proteins

Solmajer, T. ; Mehler, E. L.

International journal of quantum chemistry, 1992-09, Vol.44 (2), p.291-299 [Periódico revisado por pares]

New York: John Wiley & Sons, Inc

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