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Results:
1-7
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Results: 7
Authors:
Barril, X
Gelpi, JL
Lopez, JM
Orozco, M
Luque, FJ
Citation: X. Barril et al., How accurate can molecular dynamics/linear response and Poisson-Boltzmann/solvent accessible surface calculations be for predicting relative binding affinities? Acetylcholinesterase huprine inhibitors as a test case, THEOR CH AC, 106(1-2), 2001, pp. 2-9
Authors:
Gelpi, JL
Kalko, SG
Barril, X
Cirera, J
de la Cruz, X
Luque, FJ
Orozco, M
Citation: Jl. Gelpi et al., Classical molecular interaction potentials: Improved setup procedure in molecular dynamics simulations of proteins, PROTEINS, 45(4), 2001, pp. 428-437
Authors:
Barril, X
Munoz, J
Luque, FJ
Orozco, M
Citation: X. Barril et al., Simplified descriptions of the topological distribution of hydrophilic/hydrophobic characteristics of molecules, PHYS CHEM P, 2(21), 2000, pp. 4897-4905
Authors:
Camps, P
El Achab, R
Morral, J
Munoz-Torrero, D
Badia, A
Banos, JE
Vivas, NM
Barril, X
Orozco, M
Luque, FJ
Citation: P. Camps et al., New tacrine-huperzine A hybrids (huprines): Highly potent tight-binding acetylcholinesterase inhibitors of interest for the treatment of Alzheimer's disease, J MED CHEM, 43(24), 2000, pp. 4657-4666
Authors:
Luque, FJ
Barril, X
Orozco, M
Citation: Fj. Luque et al., Fractional description of free energies of solvation, J COMPUT A, 13(2), 1999, pp. 139-152
Authors:
Barril, X
Orozco, M
Luque, FJ
Citation: X. Barril et al., Predicting relative binding free energies of tacrine-huperzine A hybrids as inhibitors of acetylcholinesterase, J MED CHEM, 42(25), 1999, pp. 5110-5119
Authors:
Camps, P
El Achab, R
Gorbig, DM
Morral, J
Munoz-Torrero, D
Badia, A
Banos, JE
Vivas, NM
Barril, X
Orozco, M
Luque, FJ
Citation: P. Camps et al., Synthesis, in vitro pharmacology, and molecular modeling of very potent tacrine-huperzine A hybrids as acetylcholinesterase inhibitors of potential interest for the treatment of Alzheimer's disease, J MED CHEM, 42(17), 1999, pp. 3227-3242
Risultati:
1-7
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