Works matching IS 01928651 AND DT 1999 AND VI 20 AND IP 15
Results: 7
Estimating relative free energies from a single ensemble: Hydration free energies.
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- Journal of Computational Chemistry, 1999, v. 20, n. 15, p. 1604, doi. 10.1002/(SICI)1096-987X(19991130)20:15<1604::AID-JCC2>3.0.CO;2-A
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Efficiency of simulated annealing for peptides with increasing geometrical restrictions.
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- Journal of Computational Chemistry, 1999, v. 20, n. 15, p. 1659, doi. 10.1002/(SICI)1096-987X(19991130)20:15<1659::AID-JCC6>3.0.CO;2-F
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Importance of selecting proper basis set in quantum mechanical studies of potential energy surfaces of carbohydrates.
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- Journal of Computational Chemistry, 1999, v. 20, n. 15, p. 1593, doi. 10.1002/(SICI)1096-987X(19991130)20:15<1593::AID-JCC1>3.0.CO;2-A
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Efficient calculation of two-dimensional adiabatic and free energy maps: Application to the isomerization of the C13C14 and C15N16 bonds in the retinal of bacteriorhodopsin.
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- Journal of Computational Chemistry, 1999, v. 20, n. 15, p. 1644, doi. 10.1002/(SICI)1096-987X(19991130)20:15<1644::AID-JCC5>3.0.CO;2-Y
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Statistical analysis of computational docking of large compound data bases to distinct protein binding sites.
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- Journal of Computational Chemistry, 1999, v. 20, n. 15, p. 1634, doi. 10.1002/(SICI)1096-987X(19991130)20:15<1634::AID-JCC4>3.0.CO;2-1
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Integrating quantum and molecular mechanics.
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- Journal of Computational Chemistry, 1999, v. 20, n. 15, p. 1618, doi. 10.1002/(SICI)1096-987X(19991130)20:15<1618::AID-JCC3>3.0.CO;2-V
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Low-mode conformational search elucidated: Application to C<sub>39</sub>H<sub>80</sub> and flexible docking of 9-deazaguanine inhibitors into PNP.
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- Journal of Computational Chemistry, 1999, v. 20, n. 15, p. 1671, doi. 10.1002/(SICI)1096-987X(19991130)20:15<1671::AID-JCC7>3.0.CO;2-Y
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