Search Result "ab initio charges"


Principles, Challenges and Advances in ab initio Protein Structure Prediction

Journal: Protein & Peptide Letters
Volume: 19 Issue: 11 Year: 2012 Page: 1194-1204
Author(s): Arunachalam Jothi

Review Article

Ab initio study of the LOM-AKH-I peptide in gas­ phase environment

Journal: Protein & Peptide Letters
Volume: 7 Issue: 2 Year: 2000 Page: 113-116
Author(s): Igor Z. Zubrzycki

Research Article

Ab-initio Investigation of 5-methoxybenzimidazole Compound

Journal: Current Materials Science
Volume: 17 Issue: 0 Year: 2024 Page: 1-10
Author(s):

From Relative to Absolute Configuration of Complex Natural Products: Interplay Between NMR, ECD, VCD, and ORD Assisted by ab initio Calculations

Journal: Current Organic Chemistry
Volume: 14 Issue: 1 Year: 2010 Page: 1612-1628
Author(s): Ana G. Petrovic, Armando Navarro-Vazquez, Jose Lorenzo Alonso-Gomez

Integrated Web-Based ab initio Modeling Platform for G-protein Coupled Receptors

Journal: Letters in Drug Design & Discovery
Volume: 8 Issue: 2 Year: 2011 Page: 159-171
Author(s): Govindan Subramanian, Manish Sud, Sam Billakanti, Adel Laoui

Ab Initio and DFT Study of Chinesin I and Chinesin II

Journal: Current Physical Chemistry
Volume: 5 Issue: 4 Year: 2015 Page: 274-293
Author(s): Liliana Mammino

Synthesis, Physico-Chemical Properties and DFT Calculations of New 2-(4- Arylpiperazine-1-yl)-1-(3-ethylbenzofuran-2-yl)ethanols As Potential Antihypertensive Agents

Journal: Current Organic Chemistry
Volume: 15 Issue: 7 Year: 2011 Page: 1081-1096
Author(s): Zuzana Mandelova, Radka Opatrilova, Ivan Raich, Jaroslav Havlicek, Sandra Kacerova, Tomas Pekarek, Marcela Tkadlecova, Petra Staskova, Jiri Dohnal, Jozef Csollei, Josef Jampilek

Computational Characterization of a Series of Eicosanoids

Journal: Letters in Drug Design & Discovery
Volume: 2 Issue: 4 Year: 2005 Page: 322-328
Author(s): A. S.A. Gracon, S. J. Pernecky, M. C. Milletti, J.- A Park, Y. Yuan, H. Kim

Molecular Modeling of Transmembrane Helices 6 and 7 of the Heptahelical Lutropin Receptor

Journal: Protein & Peptide Letters
Volume: 9 Issue: 2 Year: 2002 Page: 153-158
Author(s): J. Paul Simon, Krassimira Angelova, David Puett

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