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Electrostatics

Replica Exchange Improves Sampling in Low-Resolution Docking Stage of RosettaDock

Zhe Zhang, Oliver F. Lange

published 29 Aug 2013

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Arginine Inhibits Adsorption of Proteins on Polystyrene Surface

Yui Shikiya, Shunsuke Tomita, Tsutomu Arakawa, Kentaro Shiraki

published 13 Aug 2013

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A Computational Module Assembled from Different Protease Family Motifs Identifies PI PLC from Bacillus cereus as a Putative Prolyl Peptidase with a Serine Protease Scaffold

Adela Rendón-Ramírez, Manish Shukla, Masataka Oda, Sandeep Chakraborty, Renu Minda, Abhaya M. Dandekar, Bjarni Ásgeirsson, Félix M. Goñi, Basuthkar J. Rao

published 05 Aug 2013

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Repulsion between Oppositely Charged Planar Macroions

YongSeok Jho, Frank L. H. Brown, MahnWon Kim, Philip A. Pincus

published 05 Aug 2013

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The Linker Pivot in Ci-VSP: The Key to Unlock Catalysis

Kirstin Hobiger, Tillmann Utesch, Maria Andrea Mroginski, Guiscard Seebohm, Thomas Friedrich

published 29 Jul 2013

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Schiff Base Switch II Precedes the Retinal Thermal Isomerization in the Photocycle of Bacteriorhodopsin

Ting Wang, Marc T. Facciotti, Yong Duan

published 29 Jul 2013

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Involvement of the Same TNFR1 Residue in Mendelian and Multifactorial Inflammatory Disorders

Isabelle Jéru, Serge Charmion, Emmanuelle Cochet, Bruno Copin, Philippe Duquesnoy, Maria Teresa Mitjavila Garcia, Gaëlle Le Borgne, Pascal Cathebras, Jacques Gaillat, Sonia Karabina, Catherine Dodé, Peter Lohse, Véronique Hentgen, Serge Amselem

published 24 Jul 2013

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Roles for Ordered and Bulk Solvent in Ligand Recognition and Docking in Two Related Cavities

Sarah Barelier, Sarah E. Boyce, Inbar Fish, Marcus Fischer, David B. Goodin, Brian K. Shoichet

published 18 Jul 2013

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Nanoscale Roughness and Morphology Affect the IsoElectric Point of Titania Surfaces

Francesca Borghi, Varun Vyas, Alessandro Podestà, Paolo Milani

published 16 Jul 2013

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Prediction of Cross-Recognition of Peptide-HLA A2 by Melan-A-Specific Cytotoxic T Lymphocytes Using Three-Dimensional Quantitative Structure-Activity Relationships

Theres Fagerberg, Vincent Zoete, Sebastien Viatte, Petra Baumgaertner, Pedro M. Alves, Pedro Romero, Daniel E. Speiser, Olivier Michielin

published 16 Jul 2013

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Slow Sedimentation and Deformability of Charged Lipid Vesicles

Iván Rey Suárez, Chad Leidy, Gabriel Téllez, Guillaume Gay, Andres Gonzalez-Mancera

published 11 Jul 2013

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The Effects of Threonine Phosphorylation on the Stability and Dynamics of the Central Molecular Switch Region of 18.5-kDa Myelin Basic Protein

Kenrick A. Vassall, Kyrylo Bessonov, Miguel De Avila, Eugenia Polverini, George Harauz

published 05 Jul 2013

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Point Charges Optimally Placed to Represent the Multipole Expansion of Charge Distributions

Ramu Anandakrishnan, Charles Baker, Saeed Izadi, Alexey V. Onufriev

published 04 Jul 2013

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