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	1.	New insights in atom-atom interactions for future drug design. [electronic resource] by Popelier, Paul Producer: 20140411 In: Current topics in medicinal chemistry vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	A fully analytical integration of properties over the 3D volume of the β sphere in topological atoms. [electronic resource] by Popelier, Paul L A Publication details: Journal of computational chemistry Apr 2018 In: Journal of computational chemistry vol. 39 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Fully analytical integration over the 3D volume bounded by the β sphere in topological atoms. [electronic resource] by Popelier, Paul L A Producer: 20120227 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)
	4.	Exploring predictive QSAR models for hepatocyte toxicity of phenols using QTMS descriptors. [electronic resource] by Roy, Kunal Popelier, Paul L A Producer: 20080516 In: Bioorganic & medicinal chemistry letters vol. 18 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Prediction of interaction energies of substituted hydrogen-bonded Watson-Crick cytosine:guanine(8X) base pairs. [electronic resource] by Xue, Chunxia Popelier, Paul L A Producer: 20090911 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)
	6.	In silico techniques for the identification of bioisosteric replacements for drug design. [electronic resource] by Devereux, Mike Popelier, Paul L A Producer: 20101216 In: Current topics in medicinal chemistry vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Long range behavior of high-rank topological multipole moments. [electronic resource] by Rafat, Michel Popelier, Paul L A Producer: 20070723 In: Journal of computational chemistry vol. 28 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Computational study of substituent effects on the interaction energies of hydrogen-bonded Watson-Crick cytosine: guanine base pairs. [electronic resource] by Xue, Chunxia Popelier, Paul L A Producer: 20080619 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)
	9.	Spherical tensor multipolar electrostatics and smooth particle mesh Ewald summation: a theoretical study. [electronic resource] by Zielinski, François Popelier, Paul L A Producer: 20150330 In: Journal of molecular modeling vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Atomic properties of selected biomolecules: quantum topological atom types of hydrogen, oxygen, nitrogen and sulfur occurring in natural amino acids and their derivatives. [electronic resource] by Popelier, Paul L A Aicken, Fiòna M Producer: 20030708 In: Chemistry (Weinheim an der Bergstrasse, Germany) vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	The influence of water potential in simulation: a catabolite activator protein case study. [electronic resource] by Liem, Steven Y Popelier, Paul L A Producer: 20191220 In: Journal of molecular modeling vol. 25 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	The elusive atomic rationale for DNA base pair stability. [electronic resource] by Popelier, Paul L A Joubert, Laurent Producer: 20020918 In: Journal of the American Chemical Society vol. 124 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Atomic properties of amino acids: computed atom types as a guide for future force-field design. [electronic resource] by Popelier, Paul L Aicken, Fiona M Producer: 20031208 In: Chemphyschem : a European journal of chemical physics and physical chemistry vol. 4 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Computational study of mutarotation in erythrose and threose. [electronic resource] by Alkorta, Ibon Popelier, Paul L A Producer: 20120406 In: Carbohydrate research vol. 346 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Linear free-energy relationships between a single gas-phase ab initio equilibrium bond length and experimental pKa values in aqueous solution. [electronic resource] by Alkorta, Ibon Popelier, Paul L A Producer: 20150918 In: Chemphyschem : a European journal of chemical physics and physical chemistry vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Prediction of conformationally dependent atomic multipole moments in carbohydrates. [electronic resource] by Cardamone, Salvatore Popelier, Paul L A Producer: 20161020 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)
	17.	Properties and 3D Structure of Liquid Water: A Perspective from a High-Rank Multipolar Electrostatic Potential. [electronic resource] by Liem, Steven Y Popelier, Paul L A Producer: 20151202 In: Journal of chemical theory and computation vol. 4 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Unfavorable regions in the ramachandran plot: Is it really steric hindrance? The interacting quantum atoms perspective. [electronic resource] by Maxwell, Peter I Popelier, Paul L A Publication details: Journal of computational chemistry 11 2017 In: Journal of computational chemistry vol. 38 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	MP2-IQA: upscaling the analysis of topologically partitioned electron correlation. [electronic resource] by Silva, Arnaldo F Popelier, Paul L A Producer: 20180712 In: Journal of molecular modeling vol. 24 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Fluorine Gauche Effect Explained by Electrostatic Polarization Instead of Hyperconjugation: An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study. [electronic resource] by Thacker, Joseph C R Popelier, Paul L A Producer: 20180305 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)

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Your search returned 111 results.