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	1.	HIVdb: a database of the structures of human immunodeficiency virus protease. [electronic resource] by Vondrasek, Jiri Wlodawer, Alexander Producer: 20030114 In: Proteins vol. 49 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Metadynamics as a tool for mapping the conformational and free-energy space of peptides--the alanine dipeptide case study. [electronic resource] by Vymetal, Jirí Vondrásek, Jirí Producer: 20100715 In: The journal of physical chemistry. B vol. 114 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	On InChI and evaluating the quality of cross-reference links. [electronic resource] by Galgonek, Jakub Vondrášek, Jiří Producer: 20140520 In: Journal of cheminformatics vol. 6 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Critical Assessment of Current Force Fields. Short Peptide Test Case. [electronic resource] by Vymětal, Jiří Vondrášek, Jiří Producer: 20151124 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)
	5.	Gyration- and inertia-tensor-based collective coordinates for metadynamics. Application on the conformational behavior of polyalanine peptides and Trp-cage folding. [electronic resource] by Vymětal, Jiří Vondrášek, Jiří Producer: 20120215 In: The journal of physical chemistry. A vol. 115 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Towards a better understanding of the specificity of protein-protein interaction. [electronic resource] by Kysilka, Jiří Vondrášek, Jiří Producer: 20130402 In: Journal of molecular recognition : JMR vol. 25 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Can All-Atom Molecular Dynamics Simulations Quantitatively Describe Homeodomain-DNA Binding Equilibria? [electronic resource] by Jakubec, David Vondrášek, Jiří Producer: 20190416 In: Journal of chemical theory and computation vol. 15 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Optimal definition of inter-residual contact in globular proteins based on pairwise interaction energy calculations, its robustness, and applications. [electronic resource] by Fačkovec, Boris Vondrášek, Jiří Producer: 20130401 In: The journal of physical chemistry. B vol. 116 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Efficient Estimation of Absolute Binding Free Energy for a Homeodomain-DNA Complex from Nonequilibrium Pulling Simulations. [electronic resource] by Jakubec, David Vondrášek, Jiří Producer: 20201028 In: Journal of chemical theory and computation vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Parametrization of 2,2,2-trifluoroethanol based on the generalized AMBER force field provides realistic agreement between experimental and calculated properties of pure liquid as well as water-mixed solutions. [electronic resource] by Vymětal, Jiří Vondrášek, Jiří Producer: 20150525 In: The journal of physical chemistry. B vol. 118 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Loss of dispersion energy changes the stability and folding/unfolding equilibrium of the Trp-cage protein. [electronic resource] by Cerný, Jirí Vondrásek, Jirí Hobza, Pavel Producer: 20090608 In: The journal of physical chemistry. B vol. 113 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Effect of TFE on the Helical Content of AK17 and HAL-1 Peptides: Theoretical Insights into the Mechanism of Helix Stabilization. [electronic resource] by Vymětal, Jiří Bednárová, Lucie Vondrášek, Jiří Producer: 20161031 In: The journal of physical chemistry. B vol. 120 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Sachem: a chemical cartridge for high-performance substructure search. [electronic resource] by Kratochvíl, Miroslav Vondrášek, Jiří Galgonek, Jakub Publication details: Journal of cheminformatics May 2018 In: Journal of cheminformatics vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Analysis of energy stabilization inside the hydrophobic core of rubredoxin. [electronic resource] by Berka, Karel Hobza, Pavel Vondrásek, Jirí Producer: 20090402 In: Chemphyschem : a European journal of chemical physics and physical chemistry vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	AMBER and CHARMM Force Fields Inconsistently Portray the Microscopic Details of Phosphorylation. [electronic resource] by Vymětal, Jiří Jurásková, Veronika Vondrášek, Jiří Producer: 20190501 In: Journal of chemical theory and computation vol. 15 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Interoperable chemical structure search service. [electronic resource] by Kratochvíl, Miroslav Vondrášek, Jiří Galgonek, Jakub Publication details: Journal of cheminformatics Jun 2019 In: Journal of cheminformatics vol. 11 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Quasiplanarity of the peptide bond. [electronic resource] by Chalupský, Jakub Vondrásek, Jirí Spirko, Vladimír Producer: 20080320 In: The journal of physical chemistry. A vol. 112 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	3DPatch: fast 3D structure visualization with residue conservation. [electronic resource] by Jakubec, David Vondrášek, Jirí Finn, Robert D Producer: 20191024 In: Bioinformatics (Oxford, England) vol. 35 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Performance of the DFT-D method, paired with the PCM implicit solvation model, for the computation of interaction energies of solvated complexes of biological interest. [electronic resource] by Riley, Kevin E Vondrásek, Jiri Hobza, Pavel Producer: 20080229 In: Physical chemistry chemical physics : PCCP vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Identifying stabilizing key residues in proteins using interresidue interaction energy matrix. [electronic resource] by Bendová-Biedermannová, Lada Hobza, Pavel Vondrásek, Jirí Producer: 20080721 In: Proteins vol. 72 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 83 results.