![Foto de MARIA DEL CARMEN](/img/nophoto.png)
MARIA DEL CARMEN
VILLAVERDE CAMERON-WALKER
Investigadora no período 1983-2019
Publicacións (68) Publicacións de MARIA DEL CARMEN VILLAVERDE CAMERON-WALKER
2023
2021
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Lithocholic acid-based design of noncalcemic vitamin D receptor agonists
Bioorganic Chemistry, Vol. 111
2018
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Environmental Effects Determine the Structure of Potential β-Amino Acid Based Foldamers
Chemistry - A European Journal, Vol. 24, Núm. 42, pp. 10625-10629
2016
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8-Aminomethyl-7-hydroxy-4-methylcoumarins as Multitarget Leads for Alzheimer's Disease
ChemistrySelect, Vol. 1, Núm. 11, pp. 2742-2749
2015
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Computer-aided structure-based design of multitarget leads for Alzheimer's disease
Journal of Chemical Information and Modeling, Vol. 55, Núm. 1, pp. 135-148
2013
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Effect of pH and ligand charge state on BACE-1 fragment docking performance
Journal of Computer-Aided Molecular Design, Vol. 27, Núm. 5, pp. 403-417
2012
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Experimental and 'in silico' analysis of the effect of pH on HIV-1 protease inhibitor affinity: Implications for the charge state of the protein ionogenic groups
Bioorganic and Medicinal Chemistry, Vol. 20, Núm. 15, pp. 4838-4847
2011
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On a possible neutral charge state for the catalytic dyad in β-secretase when bound to hydroxyethylene transition state analogue inhibitors
Journal of Medicinal Chemistry, Vol. 54, Núm. 8, pp. 3081-3085
2010
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Effect of the protonation state of the titratable residues on the inhibitor affinity to BACE-1
Biochemistry, Vol. 49, Núm. 34, pp. 7255-7263
2009
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Prediction and analysis of binding affinities for chemically diverse HIV-1 PR inhibitors by the modified SAFE-p approach
Journal of Computational Chemistry, Vol. 30, Núm. 8, pp. 1229-1240
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Searching the conformational space of cyclic β-amino acid peptides
Journal of Physical Chemistry B, Vol. 113, Núm. 29, pp. 9669-9680
2008
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Design, synthesis, evaluation, and crystallographic-based structural studies of HIV-1 protease inhibitors with reduced response to the V82A mutation
Journal of Medicinal Chemistry, Vol. 51, Núm. 4, pp. 852-860
2007
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Inhibitor docking screened by the modified SAFE_p scoring function: Application to cyclic urea HIV-1 PR nhibitors
Journal of Computational Chemistry, Vol. 28, Núm. 13, pp. 2216-2225
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The search for drug leads targeted to the β-secretase: An example of the roles of computer assisted approaches in drug discovery
Current Topics in Medicinal Chemistry, Vol. 7, Núm. 10, pp. 980-990
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Total synthesis of (5S,6S)-6-amino-2,8-dimethylnonan-5-ol and (5S,6S)-6-amino-7-cyclohexyl-2-methylheptan-5-ol
Arkivoc, Vol. 2007, Núm. 4, pp. 380-388
2004
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Predicting the Cell Differentiation Activity of 1α ,25-Dihydroxyvitamin D3 Side Chain Analogues from Docking Simulations
Journal of Medicinal Chemistry, Vol. 47, Núm. 7, pp. 1613-1616
2002
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Modified solvent accessibility free energy prediction analysis of cyclic urea inhibitors binding to the HIV-1 protease
Protein Engineering, Vol. 15, Núm. 9, pp. 707-711
1998
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Computer assisted evaluation of inhibitor sensitivity to HIV-1 PR mutants
Advances in Experimental Medicine and Biology
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First total synthesis of 1,2,3,4-tetrahydronaphtho[2,1-f]isoquinolines
Tetrahedron Letters, Vol. 39, Núm. 10, pp. 1231-1232
1997
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Solvation effects are responsible for the reduced inhibitor affinity of some HIV-1 PR mutants
Protein Science, Vol. 6, Núm. 5, pp. 1024-1030