Search Result "ab initio shape"
Small Angle Scattering and ab initio Modeling
Ebook: Advances in Physicochemical Properties of Biopolymers (Part 1)
Volume: 1 Year: 2017
Author(s): Denis Renard,C. Sanchez
Doi: 10.2174/9781681084534117010006
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
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
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
Magnitude and Physical Origin of Intermolecular Interactions of Aromatic Molecules: Recent Progress of Computational Studies
Journal: Current Organic Chemistry
Volume: 10 Issue: 7 Year: 2006 Page: 745-762
Author(s): S. Tsuzuki, T. Uchimaru
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
GAMESS As a Free Quantum-Mechanical Platform for Drug Research
Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 18 Year: 2012 Page: 2013-2033
Author(s): Yuri Alexeev,Michael P. Mazanetz,Osamu Ichihara,Dmitri G. Fedorov
Describing and Comparing Protein Structures Using Shape Strings
Journal: Current Protein & Peptide Science
Volume: 9 Issue: 4 Year: 2008 Page: 310-324
Author(s): Nanjiang Shu, Sven Hovmoller, Tuping Zhou