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	1.	Benchmark interaction energies for biologically relevant noncovalent complexes containing divalent sulfur. [electronic resource] by Mintz, Benjamin J Parks, Jerry M Producer: 20120529 In: The journal of physical chemistry. A vol. 116 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Pseudobond parameters for QM/MM studies involving nucleosides, nucleotides, and their analogs. [electronic resource] by Chaudret, Robin Parks, Jerry M Yang, Weitao Producer: 20130716 In: The Journal of chemical physics vol. 138 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Development of CHARMM-Compatible Force-Field Parameters for Cobalamin and Related Cofactors from Quantum Mechanical Calculations. [electronic resource] by Pavlova, Anna Parks, Jerry M Gumbart, James C 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)
	4.	Mechanism of Cdc25B phosphatase with the small molecule substrate p-nitrophenyl phosphate from QM/MM-MFEP calculations. [electronic resource] by Parks, Jerry M Hu, Hao Rudolph, Johannes Yang, Weitao Producer: 20090618 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)
	5.	A pseudobond parametrization for improved electrostatics in quantum mechanical/molecular mechanical simulations of enzymes. [electronic resource] by Parks, Jerry M Hu, Hao Cohen, Aron J Yang, Weitao Producer: 20090109 In: The Journal of chemical physics vol. 129 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	HackaMol: An Object-Oriented Modern Perl Library for Molecular Hacking on Multiple Scales. [electronic resource] by Riccardi, Demian Parks, Jerry M Johs, Alexander Smith, Jeremy C Producer: 20160126 In: Journal of chemical information and modeling vol. 55 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Toward Quantitatively Accurate Calculation of the Redox-Associated Acid-Base and Ligand Binding Equilibria of Aquacobalamin. [electronic resource] by Johnston, Ryne C Zhou, Jing Smith, Jeremy C Parks, Jerry M Producer: 20180418 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)
	8.	Quantum Chemical Calculation of p K [electronic resource] by Lian, Peng Johnston, Ryne C Parks, Jerry M Smith, Jeremy C Producer: 20180503 In: The journal of physical chemistry. A vol. 122 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Toward the rational design of macrolide antibiotics to combat resistance. [electronic resource] by Pavlova, Anna Parks, Jerry M Oyelere, Adegboyega K Gumbart, James C Producer: 20171113 In: Chemical biology & drug design vol. 90 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Mercury methylation by HgcA: theory supports carbanion transfer to Hg(II). [electronic resource] by Zhou, Jing Riccardi, Demian Beste, Ariana Smith, Jeremy C Parks, Jerry M Producer: 20140926 In: Inorganic chemistry vol. 53 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface. [electronic resource] by Hu, Hao Lu, Zhenyu Parks, Jerry M Burger, Steven K Yang, Weitao Producer: 20080331 In: The Journal of chemical physics vol. 128 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Hepatitis C virus NS5B polymerase: QM/MM calculations show the important role of the internal energy in ligand binding. [electronic resource] by Parks, Jerry M Kondru, Rama K Hu, Hao Beratan, David N Yang, Weitao Producer: 20080424 In: The journal of physical chemistry. B vol. 112 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Distribution of mechanical stress in the Escherichia coli cell envelope. [electronic resource] by Hwang, Hyea Paracini, Nicolò Parks, Jerry M Lakey, Jeremy H Gumbart, James C Producer: 20190624 In: Biochimica et biophysica acta. Biomembranes vol. 1860 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Hydrolysis of DFP and the nerve agent (S)-sarin by DFPase proceeds along two different reaction pathways: implications for engineering bioscavengers. [electronic resource] by Wymore, Troy Field, Martin J Langan, Paul Smith, Jeremy C Parks, Jerry M Producer: 20150511 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)
	15.	Mycolyltransferase from [electronic resource] by Goins, Christopher M Dajnowicz, Steven Smith, Micholas D Parks, Jerry M Ronning, Donald R Producer: 20190107 In: The Journal of biological chemistry vol. 293 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation. [electronic resource] by Das, Amit Gerlits, Oksana Parks, Jerry M Langan, Paul Kovalevsky, Andrey Heller, William T Producer: 20160909 In: Structure (London, England : 1993) vol. 23 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Comparative informatics analysis to evaluate site-specific protein oxidation in multidimensional LC-MS/MS data. [electronic resource] by McClintock, Carlee S Parks, Jerry M Bern, Marshall Ghattyvenkatakrishna, Pavan K Hettich, Robert L Producer: 20140221 In: Journal of proteome research vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5'-phosphate in aspartate aminotransferase. [electronic resource] by Dajnowicz, Steven Parks, Jerry M Hu, Xiche Gesler, Korie Kovalevsky, Andrey Y Mueser, Timothy C Producer: 20170601 In: The Journal of biological chemistry vol. 292 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Cluster-Continuum Calculations of Hydration Free Energies of Anions and Group 12 Divalent Cations. [electronic resource] by Riccardi, Demian Guo, Hao-Bo Parks, Jerry M Gu, Baohua Liang, Liyuan Smith, Jeremy C 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)
	20.	A Minimal Membrane Metal Transport System: Dynamics and Energetics of mer Proteins. [electronic resource] by Hwang, Hyea Hazel, Anthony Lian, Peng Smith, Jeremy C Gumbart, James C Parks, Jerry M Producer: 20210430 In: Journal of computational chemistry vol. 41 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 55 results.