Search Result "ab initio methods"


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

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

The Photochemical Isomerization of Pyrazoles: An AB Initio Study

Journal: Letters in Organic Chemistry
Volume: 1 Issue: 1 Year: 2004 Page: 12-19
Author(s): Maurizio DAuria, Rocco Racioppi

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

Ab initio Energy Gap Calculations of ZnO Nanowires Based on LDA-1/2 Approach

Journal: Nanoscience & Nanotechnology-Asia
Volume: 4 Issue: 2 Year: 2014 Page: 124-131
Author(s): Mauro Ribeiro

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

Neural Network Pairwise Interaction Fields for Protein Model Quality Assessment and Ab Initio Protein Folding

Journal: Current Protein & Peptide Science
Volume: 12 Issue: 6 Year: 2011 Page: 549-562
Author(s): Alberto J.M. Martin, Claudio Mirabello, Gianluca Pollastri

Mini-Review Article

Ab initio Valence Bond Theory with Density Functional

Journal: Current Chinese Science
Volume: 3 Issue: 2 Year: 2023 Page: 141-153
Author(s):

A Novel Unified Ab Initio and Template-Based Approach to GPCR Modeling: Case of EDG-LPA Receptors.

Journal: Current Bioinformatics
Volume: 8 Issue: 5 Year: 2013 Page: 603-610
Author(s): Olaposi I. Omotuyi,Hiroshi Ueda

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