Ricardo L. Mancera

15 papers Journal 15
YearRankTypeTitle / Venue / Authors
2018 J jnl
Molecular Dynamics Visualization (MDV): Stereoscopic 3D Display of Biomolecular Structure and Interactions Using the Unity Game Engine.
J. Integr. Bioinform.
Michael Wiebrands, Chris J. Malajczuk, Andrew J. Woods, Andrew L. Rohl, Ricardo L. Mancera
2011 J jnl
Molecular Dynamics Simulations of CXCL-8 and Its Interactions with a Receptor Peptide, Heparin Fragments, and Sulfated Linked Cyclitols.
J. Chem. Inf. Model.
Neha Gandhi, Ricardo L. Mancera
2010 J jnl
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.
Zhili Zuo, Neha Gandhi, Ricardo L. Mancera
2010 J jnl
Ligand-Protein Cross-Docking with Water Molecules.
J. Chem. Inf. Model.
Ramasamy Thilagavathi, Ricardo L. Mancera
2008 J jnl
Characterization of Sequence and Structural Features of the Candida krusei Enolase.
Silico Biol.
Neha Gandhi, Kathy Young, John R. Warmington, Ricardo L. Mancera
2008 J jnl
Ligand-Protein Docking with Water Molecules.
J. Chem. Inf. Model.
Benjamin C. Roberts, Ricardo L. Mancera
2008 J jnl
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.
Ami Yi-Ching Yang, Ricardo L. Mancera
2005 J jnl
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.
Alfonso T. García-Sosa, Stuart Firth-Clark, Ricardo L. Mancera
2004 J jnl
Expanded Interaction Fingerprint Method for Analyzing Ligand Binding Modes in Docking and Structure-Based Drug Design.
J. Chem. Inf. Model.
Matthew D. Kelly, Ricardo L. Mancera
2004 J jnl
Ligand-protein docking using a quantum stochastic tunneling optimization method.
J. Comput. Chem.
Ricardo L. Mancera, Per Källblad, Nikolay P. Todorov
2004 J jnl
Molecular modelling prediction of ligand binding site flexibility.
J. Comput. Aided Mol. Des.
Ami Yi-Ching Yang, Per Källblad, Ricardo L. Mancera
2004 J jnl
The effect of tightly bound water molecules on the structural interpretation of ligand-derived pharmacophore models.
J. Comput. Aided Mol. Des.
David G. Lloyd, Alfonso T. García-Sosa, Ian L. Alberts, Nikolay P. Todorov, Ricardo L. Mancera
2003 J jnl
A new method for estimating the importance of hydrogen-bonding groups in the binding site of a protein.
J. Comput. Aided Mol. Des.
Matthew D. Kelly, Ricardo L. Mancera
2002 J jnl
De novo ligand design with explicit water molecules: an application to bacterial neuraminidase.
J. Comput. Aided Mol. Des.
Ricardo L. Mancera
1996 J jnl
Towards an understanding of the molecular basis of hydrophobicity.
J. Comput. Aided Mol. Des.
Ricardo L. Mancera