Search Result "ab initio prediction"


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

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

Refinement of Protein Structure Predicted Models Using Minimum Spanning Tree

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 1 Year: 2015 Page: 32-38
Author(s): Shaheera Rashwan,Bayumy A. Youssef

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 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

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

Quantitative Prediction of Critical Amino Acid Positions for Protein Folding

Journal: Protein & Peptide Letters
Volume: 16 Issue: 1 Year: 2009 Page: 1342-1349
Author(s): Trias Thireou, Vassilios Atlamazoglou, Nikolaos A. Papandreou, Mathieu Lonquety, Jacques Chomilier, Elias Eliopoulos

Review Article

Quantum Mechanical (QM) Calculations Applied to ADMET Drug Prediction: A Review

Journal: Current Drug Metabolism
Volume: 18 Issue: 6 Year: 2017 Page: 511-526
Author(s): E. F. Silva-Júnior,T. M. Aquino,J. X. Araújo-Júnior

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