Ricardo L. Mancera

According to our database, Ricardo L. Mancera authored at least 15 papers between 1996 and 2018.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2018

Molecular Dynamics Visualization (MDV): Stereoscopic 3D Display of Biomolecular Structure and Interactions Using the Unity Game Engine.

Michael Wiebrands, Chris J. Malajczuk, Andrew J. Woods, Andrew L. Rohl, Ricardo L. Mancera

J. Integr. Bioinform., 2018

2011

Molecular Dynamics Simulations of CXCL-8 and Its Interactions with a Receptor Peptide, Heparin Fragments, and Sulfated Linked Cyclitols.

Neha Gandhi, Ricardo L. Mancera

J. Chem. Inf. Model., 2011

2010

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.

Zhili Zuo, Neha Gandhi, Ricardo L. Mancera

J. Chem. Inf. Model., 2010

Ligand-Protein Cross-Docking with Water Molecules.

Ramasamy Thilagavathi, Ricardo L. Mancera

J. Chem. Inf. Model., 2010

2008

Ligand-Protein Docking with Water Molecules.

Benjamin C. Roberts, Ricardo L. Mancera

J. Chem. Inf. Model., 2008

Molecular dynamics simulations of ligand-induced backbone conformational changes in the binding site of the periplasmic lysine-, arginine-, ornithine-binding protein.

Ami Yi-Ching Yang, Ricardo L. Mancera

J. Comput. Aided Mol. Des., 2008

Characterization of Sequence and Structural Features of the Candida krusei Enolase.

Neha Gandhi, Kathy Young, John R. Warmington, Ricardo L. Mancera

Silico Biol., 2008

2005

Including Tightly-Bound Water Molecules in de Novo Drug Design. Exemplification through the in Silico Generation of Poly(ADP-ribose)polymerase Ligands.

Alfonso T. García-Sosa, Stuart Firth-Clark, Ricardo L. Mancera

J. Chem. Inf. Model., 2005

2004

Expanded Interaction Fingerprint Method for Analyzing Ligand Binding Modes in Docking and Structure-Based Drug Design.

Matthew D. Kelly, Ricardo L. Mancera

J. Chem. Inf. Model., 2004

Ligand-protein docking using a quantum stochastic tunneling optimization method.

Ricardo L. Mancera, Per Källblad, Nikolay P. Todorov

J. Comput. Chem., 2004

Molecular modelling prediction of ligand binding site flexibility.

Ami Yi-Ching Yang, Per Källblad, Ricardo L. Mancera

J. Comput. Aided Mol. Des., 2004

The effect of tightly bound water molecules on the structural interpretation of ligand-derived pharmacophore models.

David G. Lloyd, Alfonso T. García-Sosa, Ian L. Alberts, Nikolay P. Todorov, Ricardo L. Mancera

J. Comput. Aided Mol. Des., 2004

2003

A new method for estimating the importance of hydrogen-bonding groups in the binding site of a protein.

Matthew D. Kelly, Ricardo L. Mancera

J. Comput. Aided Mol. Des., 2003

2002

De novo ligand design with explicit water molecules: an application to bacterial neuraminidase.

Ricardo L. Mancera

J. Comput. Aided Mol. Des., 2002

1996

Towards an understanding of the molecular basis of hydrophobicity.

Ricardo L. Mancera

J. Comput. Aided Mol. Des., 1996