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Publication search results
found 16 matches
- 2018
- Michael Wiebrands, Chris J. Malajczuk, Andrew J. Woods, Andrew L. Rohl, Ricardo L. Mancera:
Molecular Dynamics Visualization (MDV): Stereoscopic 3D Display of Biomolecular Structure and Interactions Using the Unity Game Engine. J. Integr. Bioinform. 15(2) (2018) - 2012
- Ricardo P. Ávila, Paulo F. A. Mancera, Lourdes Esteva, Marcio R. Pie, Cláudia Pio Ferreira:
Traveling waves in the Lethargic Crab Disease. Appl. Math. Comput. 218(19): 9898-9910 (2012) - 2011
- Neha Gandhi, Ricardo L. Mancera:
Molecular Dynamics Simulations of CXCL-8 and Its Interactions with a Receptor Peptide, Heparin Fragments, and Sulfated Linked Cyclitols. J. Chem. Inf. Model. 51(2): 335-358 (2011) - 2010
- Ramasamy Thilagavathi, Ricardo L. Mancera:
Ligand-Protein Cross-Docking with Water Molecules. J. Chem. Inf. Model. 50(3): 415-421 (2010) - Zhili Zuo, Neha Gandhi, Ricardo L. Mancera:
Calculations of the Free Energy of Interaction of the c-Fos-c-Jun Coiled Coil: Effects of the Solvation Model and the Inclusion of Polarization Effects. J. Chem. Inf. Model. 50(12): 2201-2212 (2010) - 2008
- Neha Gandhi, Kathy Young, John R. Warmington, Ricardo L. Mancera:
Characterization of Sequence and Structural Features of the Candida krusei Enolase. Silico Biol. 8(5-6): 449-460 (2008) - Ami Yi-Ching Yang, Ricardo L. Mancera:
Molecular dynamics simulations of ligand-induced backbone conformational changes in the binding site of the periplasmic lysine-, arginine-, ornithine-binding protein. J. Comput. Aided Mol. Des. 22(11): 799-814 (2008) - Benjamin C. Roberts, Ricardo L. Mancera:
Ligand-Protein Docking with Water Molecules. J. Chem. Inf. Model. 48(2): 397-408 (2008) - 2005
- 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. J. Chem. Inf. Model. 45(3): 624-633 (2005) - 2004
- 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. J. Comput. Aided Mol. Des. 18(2): 89-100 (2004) - Ami Yi-Ching Yang, Per Källblad, Ricardo L. Mancera:
Molecular modelling prediction of ligand binding site flexibility. J. Comput. Aided Mol. Des. 18(4): 235-250 (2004) - Ricardo L. Mancera, Per Källblad, Nikolay P. Todorov:
Ligand-protein docking using a quantum stochastic tunneling optimization method. J. Comput. Chem. 25(6): 858-864 (2004) - Matthew D. Kelly, Ricardo L. Mancera:
Expanded Interaction Fingerprint Method for Analyzing Ligand Binding Modes in Docking and Structure-Based Drug Design. J. Chem. Inf. Model. 44(6): 1942-1951 (2004) - 2003
- Matthew D. Kelly, Ricardo L. Mancera:
A new method for estimating the importance of hydrogen-bonding groups in the binding site of a protein. J. Comput. Aided Mol. Des. 17(7): 401-414 (2003) - 2002
- Ricardo L. Mancera:
De novo ligand design with explicit water molecules: an application to bacterial neuraminidase. J. Comput. Aided Mol. Des. 16(7): 479-499 (2002) - 1996
- Ricardo L. Mancera:
Towards an understanding of the molecular basis of hydrophobicity. J. Comput. Aided Mol. Des. 10(4): 321-326 (1996)
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