Ricardo Mancera - Dissemin

Papers authored by Ricardo Mancera

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2014 Sarika Namjoshi, Istvan Toth, Joanne T. Blanchfield, Nicholas Trotter, Ricardo L. Mancera

, Heather A. E. Benson

Enhanced transdermal peptide delivery and stability by lipid conjugation: epidermal permeation, stereoselectivity and mechanistic insights

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Albert J. Lyons, Neha S. Gandhi

, Ricardo L. Mancera

Molecular dynamics simulation of the phosphorylation-induced conformational changes of a tau peptide fragment

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Cara A. Kreck, Ricardo L. Mancera

Characterization of the Glass Transition of Water Predicted by Molecular Dynamics Simulations Using Nonpolarizable Intermolecular Potentials

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2013 Chris J. Malajczuk, Zak E. Hughes, Ricardo L. Mancera

Molecular dynamics simulations of the interactions of DMSO, mono- and polyhydroxylated cryosolvents with a hydrated phospholipid bilayer

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Bryn Funnekotter, Anja Kaczmarczyk, Shane R. Turner, Eric Bunn, Wenxu Zhou, Steven Smith

, Gavin Flematti, Ricardo L. Mancera

Acclimation-induced changes in cell membrane composition and influence on cryotolerance of in vitro shoots of native plant species

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Mark Agostino, Ricardo L. Mancera

, Paul A. Ramsland, Elizabeth Yuriev

AutoMap: A tool for analyzing protein–ligand recognition using multiple ligand binding modes

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Zak E. Hughes, Ricardo L. Mancera

Molecular dynamics simulations of mixed DOPC–β-sitosterol bilayers and their interactions with DMSO

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Zak E. Hughes, Chris J. Malajczuk, Ricardo L. Mancera

The effects of cryosolvents on DOPC-b-sitosterol bilayers determined from molecular dynamics simulations

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2012 Neha S. Gandhi

, Ricardo L. Mancera

Prediction of heparin binding sites in bone morphogenetic proteins (BMPs)

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Zak E. Hughes, Alan E. Mark

, Ricardo L. Mancera

Molecular dynamics simulations of the interactions of DMSO with DPPC and DOPC phospholipid membranes

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Zhili Zuo, Neha S. Gandhi

, Katja M. Arndt, Ricardo L. Mancera

Free energy calculations of the interactions of c-Jun-based synthetic peptides with the c-Fos protein

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2011 Sunita Tajne, Ramadevi Sanam, Rambabu Gundla, Neha S. Gandhi

, Ricardo L. Mancera

, Dayakar Boddupally, Dashavantha Reddy Vudem, Venkateswara Rao Khareedu

Molecular modeling of Bt Cry1Ac (DI-DII)-ASAL (Allium sativum lectin)-fusion protein and its interaction with aminopeptidase N (APN) receptor of Manduca sexta

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Neha S. Gandhi

, Craig Freeman, Christopher R. Parish, Ricardo L. Mancera

Computational analyses of the catalytic and heparin-binding sites and their interactions with glycosaminoglycans in glycoside hydrolase family 79 endo-β-d-glucuronidase (heparanase)

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Neha S. Gandhi

, Ricardo L. Mancera

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

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Cara A. Kreck, Jestin B. Mandumpal, Ricardo L. Mancera

Prediction of the glass transition in aqueous solutions of simple amides by molecular dynamics simulations

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Jestin B. Mandumpal, Cara A. Kreck, Ricardo L. Mancera

A molecular mechanism of solvent cryoprotection in aqueous DMSO solutions

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2010 Neha S. Gandhi

, Ricardo L. Mancera

Heparin/heparan sulphate-based drugs

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Zhili Zuo, Neha S. 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

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Alfonso T. García-Sosa, Ricardo L. Mancera

Free Energy Calculations of Mutations Involving a Tightly Bound Water Molecule and Ligand Substitutions in a Ligand-Protein Complex

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Neha S. Gandhi

, Ricardo L. Mancera

Can current force fields reproduce ring puckering in 2-O-sulfo-α-l-iduronic acid? A molecular dynamics simulation study

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Papers authored by Ricardo Mancera