Ricardo L. Mancera

Publication Activity (10 Years)

Years Active: 1996-2018
Publications (10 Years): 1

Top Topics

Molecular Dynamics

Top Venues

J. Integr. Bioinform.

Publications

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)
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) (2011)
Ramasamy Thilagavathi, Ricardo L. Mancera
Ligand-Protein Cross-Docking with Water Molecules. J. Chem. Inf. Model. 50 (3) (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) (2010)
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) (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) (2008)
Benjamin C. Roberts, Ricardo L. Mancera
Ligand-Protein Docking with Water Molecules. J. Chem. Inf. Model. 48 (2) (2008)
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) (2005)
Ami Yi-Ching Yang, Per Källblad, Ricardo L. Mancera
Molecular modelling prediction of ligand binding site flexibility. J. Comput. Aided Mol. Des. 18 (4) (2004)
Ricardo L. Mancera, Per Källblad, Nikolay P. Todorov
Ligand-protein docking using a quantum stochastic tunneling optimization method. J. Comput. Chem. 25 (6) (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) (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) (2004)
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) (2003)
Ricardo L. Mancera
De novo ligand design with explicit water molecules: an application to bacterial neuraminidase. J. Comput. Aided Mol. Des. 16 (7) (2002)
Ricardo L. Mancera
Towards an understanding of the molecular basis of hydrophobicity. J. Comput. Aided Mol. Des. 10 (4) (1996)