Search Result "quantummechanical calculation"
Study of Interactions of Nucleoside Anticancer Drugs, Capecitabine andGemcitabine, with SWNT and BNNT using Molecular and QuantumMechanical Calculations
Journal: Letters in Organic Chemistry
Volume: 21 Issue: 3 Year: 2024 Page: 238-254
Author(s):
Accelerating Quantum Chemistry Calculations with Graphical Processing Units - Toward in High-Density (HD) Silico Drug Discovery
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 3 Year: 2013 Page: 396-401
Author(s): Yohsuke Hagiwara,Kazuki Ohno,Masaya Orita,Ryota Koga,Toshio Endo,Yutaka Akiyama,Masakazu Sekijima
Quantum Chemical Methods for Calculation of Non-Covalent Interactions in Biological Molecules
Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 314-323
Author(s): Sarah Aldulaijan,James A. Platts
Free Energy Calculations to Estimate Ligand-Binding Affinities in Structure-Based Drug Design
Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3323-3337
Author(s): M. Rami Reddy,C. Ravikumar Reddy,R. S. Rathore,Mark D. Erion,P. Aparoy,R. Nageswara Reddy,P. Reddanna
Perspective on the Role of Quantum Mechanical Calculations on Cellular Molecular Interactions
Ebook: Frontiers in Computational Chemistry
Volume: 7 Year: 2024
Author(s):
Doi: 10.2174/9789815179033124070002
Introduction
Ebook: Classical Mechanics and Quantum Mechanics: An Historic-Axiomatic Approach
Volume: 1 Year: 2019
Author(s): Peter Enders
Doi: 10.2174/9781681084497119010003
Intramolecular Hydrogen Bonding in o-hydroxy Aryl Schiff Bases
Journal: Current Organic Chemistry
Volume: 13 Issue: 2 Year: 2009 Page: 172-193
Author(s): Aleksander Filarowski, Aleksander Koll, Lucjan Sobczyk
Counting particles in microscopic systems
Ebook: Frontiers in Nuclear and Particle Physics
Volume: 2 Year: 2019
Author(s): Cédric Simenel
Doi: 10.2174/9781681087641119020009
Experimental and Theoretical Studies of Photoluminescence in ZnS Obtained by Microwave-Assisted Solvothermal Method
Journal: Current Physical Chemistry
Volume: 3 Issue: 4 Year: 2013 Page: 413-418
Author(s): Mateus M. Ferrer,Yuri V.B. de Santana,Cristiane W. Raubach,Julio R. Sambrano,Elson Longo
Comprehensive Theoretical Investigation on the Regioselectivity in the Nucleophilic Ring Opening of Epoxides
Journal: Current Organic Synthesis
Volume: 10 Issue: 1 Year: 2013 Page: 169-177
Author(s): Xinyao Li,Zuoyin Yang,Jiaxi Xu