Collection
MIB 2013 (Modeling Interactions in Biomolecules VI)
- Submission status
- Closed
Guest edited by Jaroslav Burda
Editors
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Jaroslav Burda
Jaroslav Burda is a Professor at the Department of Chemical Physics, Faculty of Mathematics and Physics, Charles University in Prague. His reasearch interest is in QM study of metal ions interactions with biomolecules. He has published more than 100 original scientific papers with over 3100 citation response.
Articles (12 in this collection)
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Labelling Herceptin with a novel oxaliplatin derivative: a computational approach towards the selective drug delivery
Authors (first, second and last of 8)
- José P. Cerón-Carrasco
- Javier Cerezo
- Horacio Pérez-Sánchez
- Content type: Original Paper
- Published: 23 August 2014
- Article: 2401
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Driving and retarding forces in a chemical reaction
Authors (first, second and last of 4)
- Peter Politzer
- Jane S. Murray
- Pablo Jaque
- Content type: Original Paper
- Published: 19 July 2014
- Article: 2351
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Interdomain communication in the endonuclease/motor subunit of type I restriction-modification enzyme EcoR124I
Authors (first, second and last of 12)
- Dhiraj Sinha
- Katsiaryna Shamayeva
- Rüdiger Ettrich
- Content type: Original Paper
- Published: 28 June 2014
- Article: 2334
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Spherical tensor multipolar electrostatics and smooth particle mesh Ewald summation: a theoretical study
Authors
- François Zielinski
- Paul L. A. Popelier
- Content type: Original Paper
- Published: 24 June 2014
- Article: 2256
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Binding-competent states for L-arginine in E. coli arginine repressor apoprotein
Authors (first, second and last of 6)
- Saurabh Kumar Pandey
- David Řeha
- Rüdiger Ettrich
- Content type: Original Paper
- Published: 21 June 2014
- Article: 2330
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Apparent basicities of the surfaces characterizing the dominant crystal habits of distinct polymorphic forms of 4-aminosulfonamide
Authors
- Piotr Cysewski
- Content type: Original Paper
- Open Access
- Published: 17 June 2014
- Article: 2276
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AllerTOP v.2—a server for in silico prediction of allergens
Authors (first, second and last of 4)
- Ivan Dimitrov
- Ivan Bangov
- Irini Doytchinova
- Content type: Original Paper
- Published: 31 May 2014
- Article: 2278
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Intermediate electrostatic field for the elongation method
Authors (first, second and last of 6)
- Piotr Kuźniarowicz
- Kai Liu
- Jacek Korchowiec
- Content type: Original Paper
- Open Access
- Published: 31 May 2014
- Article: 2277
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Effect of explicit water molecules on ligand-binding affinities calculated with the MM/GBSA approach
Authors
- Paulius Mikulskis
- Samuel Genheden
- Ulf Ryde
- Content type: Original Paper
- Published: 29 May 2014
- Article: 2273
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On the origin of internal rotation in ammonia borane
Authors
- Monika Parafiniuk
- Mariusz P. Mitoraj
- Content type: Original Paper
- Open Access
- Published: 27 May 2014
- Article: 2272
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DFT and MD study of the divalent-cation-mediated interaction of ochratoxin A with DNA nucleosides
Authors (first, second and last of 4)
- Jozef Motyčka
- Pavel Mach
- Jan Urban
- Content type: Original Paper
- Published: 27 May 2014
- Article: 2274