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	1.	A- to B-DNA Transition in AMBER Force Fields and Its Coupling to Sugar Pucker. [electronic resource] by Zgarbová, Marie Jurečka, Petr Šponer, Jiří Otyepka, Michal Producer: 20180404 In: Journal of chemical theory and computation vol. 14 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	On the Use of Molecular Dynamics Simulations for Probing Allostery through DNA. [electronic resource] by Dršata, Tomáš Zgarbová, Marie Jurečka, Petr Šponer, Jiří Lankaš, Filip Producer: 20161213 In: Biophysical journal vol. 110 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Base Pair Fraying in Molecular Dynamics Simulations of DNA and RNA. [electronic resource] by Zgarbová, Marie Otyepka, Michal Šponer, Jiří Lankaš, Filip Jurečka, Petr Producer: 20151222 In: Journal of chemical theory and computation vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations. [electronic resource] by Zgarbová, Marie Otyepka, Michal Sponer, Jirí Hobza, Pavel Jurecka, Petr Producer: 20101203 In: Physical chemistry chemical physics : PCCP vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	A Novel Approach for Deriving Force Field Torsion Angle Parameters Accounting for Conformation-Dependent Solvation Effects. [electronic resource] by Zgarbová, Marie Luque, F Javier Šponer, Jiří Otyepka, Michal Jurečka, Petr Producer: 20151130 In: Journal of chemical theory and computation vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Transferability and additivity of dihedral parameters in polarizable and nonpolarizable empirical force fields. [electronic resource] by Zgarbová, Marie Rosnik, Andreana M Luque, F Javier Curutchet, Carles Jurečka, Petr Producer: 20160519 In: Journal of computational chemistry vol. 36 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Microsecond-Scale MD Simulations of HIV-1 DIS Kissing-Loop Complexes Predict Bulged-In Conformation of the Bulged Bases and Reveal Interesting Differences between Available Variants of the AMBER RNA Force Fields. [electronic resource] by Havrila, Marek Zgarbová, Marie Jurečka, Petr Banáš, Pavel Krepl, Miroslav Otyepka, Michal Šponer, Jiří Producer: 20160808 In: The journal of physical chemistry. B vol. 119 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Energies and 2'-Hydroxyl Group Orientations of RNA Backbone Conformations. Benchmark CCSD(T)/CBS Database, Electronic Analysis, and Assessment of DFT Methods and MD Simulations. [electronic resource] by Mládek, Arnošt Banáš, Pavel Jurečka, Petr Otyepka, Michal Zgarbová, Marie Šponer, Jiří Producer: 20151222 In: Journal of chemical theory and computation vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Mechanical Model of DNA Allostery. [electronic resource] by Dršata, Tomáš Zgarbová, Marie Špačková, Naďa Jurečka, Petr Šponer, Jiří Lankaš, Filip Producer: 20150819 In: The journal of physical chemistry letters vol. 5 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Mechanical properties of symmetric and asymmetric DNA A-tracts: implications for looping and nucleosome positioning. [electronic resource] by Dršata, Tomáš Špačková, Nada Jurečka, Petr Zgarbová, Marie Šponer, Jiří Lankaš, Filip Producer: 20140819 In: Nucleic acids research vol. 42 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Noncanonical α/γ Backbone Conformations in RNA and the Accuracy of Their Description by the AMBER Force Field. [electronic resource] by Zgarbová, Marie Jurečka, Petr Banáš, Pavel Havrila, Marek Šponer, Jiří Otyepka, Michal Producer: 20180521 In: The journal of physical chemistry. B vol. 121 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Influence of BII Backbone Substates on DNA Twist: A Unified View and Comparison of Simulation and Experiment for All 136 Distinct Tetranucleotide Sequences. [electronic resource] by Zgarbová, Marie Jurečka, Petr Lankaš, Filip Cheatham, Thomas E Šponer, Jiří Otyepka, Michal Producer: 20170821 In: Journal of chemical information and modeling vol. 57 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Reference Quantum Chemical Calculations on RNA Base Pairs Directly Involving the 2'-OH Group of Ribose. [electronic resource] by Šponer, Jiří Zgarbová, Marie Jurečka, Petr Riley, Kevin E Šponer, Judit E Hobza, Pavel Producer: 20151201 In: Journal of chemical theory and computation vol. 5 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Refinement of the Sugar-Phosphate Backbone Torsion Beta for AMBER Force Fields Improves the Description of Z- and B-DNA. [electronic resource] by Zgarbová, Marie Šponer, Jiří Otyepka, Michal Cheatham, Thomas E Galindo-Murillo, Rodrigo Jurečka, Petr Producer: 20160909 In: Journal of chemical theory and computation vol. 11 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Toward Improved Description of DNA Backbone: Revisiting Epsilon and Zeta Torsion Force Field Parameters. [electronic resource] by Zgarbová, Marie Luque, F Javier Sponer, Jiří Cheatham, Thomas E Otyepka, Michal Jurečka, Petr Publication details: Journal of chemical theory and computation May 2013 In: Journal of chemical theory and computation vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Refinement of the Cornell et al. Nucleic Acids Force Field Based on Reference Quantum Chemical Calculations of Glycosidic Torsion Profiles. [electronic resource] by Zgarbová, Marie Otyepka, Michal Sponer, Jiří Mládek, Arnošt Banáš, Pavel Cheatham, Thomas E Jurečka, Petr Publication details: Journal of chemical theory and computation Sep 2011 In: Journal of chemical theory and computation vol. 7 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Can We Accurately Describe the Structure of Adenine Tracts in B-DNA? Reference Quantum-Chemical Computations Reveal Overstabilization of Stacking by Molecular Mechanics. [electronic resource] by Banáš, Pavel Mládek, Arnošt Otyepka, Michal Zgarbová, Marie Jurečka, Petr Svozil, Daniel Lankaš, Filip Šponer, Jiří Producer: 20151124 In: Journal of chemical theory and computation vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Assessing the Current State of Amber Force Field Modifications for DNA. [electronic resource] by Galindo-Murillo, Rodrigo Robertson, James C Zgarbová, Marie Šponer, Jiří Otyepka, Michal Jurečka, Petr Cheatham, Thomas E Producer: 20180206 In: Journal of chemical theory and computation vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	How to understand atomistic molecular dynamics simulations of RNA and protein-RNA complexes? [electronic resource] by Šponer, Jiří Krepl, Miroslav Banáš, Pavel Kührová, Petra Zgarbová, Marie Jurečka, Petr Havrila, Marek Otyepka, Michal Producer: 20171010 In: Wiley interdisciplinary reviews. RNA vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Reactive conformation of the active site in the hairpin ribozyme achieved by molecular dynamics simulations with ε/ζ force field reparametrizations. [electronic resource] by Mlýnský, Vojtěch Kührová, Petra Zgarbová, Marie Jurečka, Petr Walter, Nils G Otyepka, Michal Šponer, Jiří Banáš, Pavel Producer: 20151202 In: The journal of physical chemistry. B vol. 119 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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Your search returned 27 results.