| 2005 |
|---|
| 7 | EE | Alfonso T. García-Sosa,
Stuart Firth-Clark,
Ricardo L. Mancera:
Including Tightly-Bound Water Molecules in de Novo Drug Design. Exemplification through the in Silico Generation of Poly(ADP-ribose)polymerase Ligands.
Journal of Chemical Information and Modeling 45(3): 624-633 (2005) |
| 2004 |
|---|
| 6 | EE | Matthew D. Kelly,
Ricardo L. Mancera:
Expanded Interaction Fingerprint Method for Analyzing Ligand Binding Modes in Docking and Structure-Based Drug Design.
Journal of Chemical Information and Modeling 44(6): 1942-1951 (2004) |
| 5 | EE | Ricardo L. Mancera,
Per Källblad,
Nikolay P. Todorov:
Ligand-protein docking using a quantum stochastic tunneling optimization method.
Journal of Computational Chemistry 25(6): 858-864 (2004) |
| 4 | | David G. Lloyd,
Alfonso T. García-Sosa,
Ian L. Alberts,
Nikolay P. Todorov,
Ricardo L. Mancera:
The effect of tightly bound water molecules on the structural interpretation of ligand-derived pharmacophore models.
Journal of Computer-Aided Molecular Design 18(2): 89-100 (2004) |
| 2003 |
|---|
| 3 | | Matthew D. Kelly,
Ricardo L. Mancera:
A new method for estimating the importance of hydrogen-bonding groups in the binding site of a protein.
Journal of Computer-Aided Molecular Design 17(7): 401-414 (2003) |
| 2002 |
|---|
| 2 | EE | Ricardo L. Mancera:
De novo ligand design with explicit water molecules: an application to bacterial neuraminidase.
Journal of Computer-Aided Molecular Design 16(7): 479-499 (2002) |
| 1996 |
|---|
| 1 | | Ricardo L. Mancera:
Towards an understanding of the molecular basis of hydrophobicity.
Journal of Computer-Aided Molecular Design 10(4): 321-326 (1996) |
