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Computational Chemistry
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Computational Chemistry
ISSN Print:
2332-5968
ISSN Online:
2332-5984
www.scirp.org/journal/cc
E-mail:
cc@scirp.org
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DFT-Based Chemical Reactivity Descriptors, Pharmacokinetics and Molecular Docking Studies of Thymidine Derivatives
()
Mohammad Ahad Hossain
,
Shahin Sultana
,
Mohammad Mazherul Islam
,
Sonia Akhter
,
Faria Nur
,
Fatima Majabin
,
Kantom Islam
,
Kazi Jawad Hossain
,
Yasuhiro Ozeki
,
Sarkar M. A. Kawsar
Computational Chemistry
Vol.11 No.4
, October 31, 2023
DOI:
10.4236/cc.2023.114006
202
Downloads
528
Views
Citations
This article belongs to the Special Issue on
Design of New Thiadiazole Derivatives with Improved Antidiabetic Activity
()
Chiépi Nadège Dominique Dou
,
Georges Stéphane Dembele
,
Mamadou Guy-Richard Kone
,
Nanou Tiéba Tuo
,
Fandia Konate
,
Adama Niare
,
Panaghiotis Karamanis
,
Nahossé Ziao
Computational Chemistry
Vol.11 No.3
, July 26, 2023
DOI:
10.4236/cc.2023.113005
128
Downloads
578
Views
Citations
This article belongs to the Special Issue on
Functionality of Covalent Organic Framework (COF) in Gas Storage Application: First Principal Study
()
Mashael Alharbi
,
Raghad Aljohani
,
Raghad Alzahrani
,
Yara Alsufyani
,
Nuha Alsmani
Computational Chemistry
Vol.11 No.3
, May 31, 2023
DOI:
10.4236/cc.2023.113004
183
Downloads
1,059
Views
Citations
This article belongs to the Special Issue on
A TD-DFT Study for the Excited State Calculations of Microhydration of N-Acetyl-Phenylalaninylamide (NAPA)
()
Md. Alauddin
,
Joya Datta Ripa
Computational Chemistry
Vol.11 No.2
, April 28, 2023
DOI:
10.4236/cc.2023.112003
163
Downloads
653
Views
Citations
This article belongs to the Special Issue on
Detailed Quantum Mechanical QSAR Analysis of Certain Aminopyrimidoisoquinolinequinones with Anticancer Activity
()
Mukhtaar Qaaed S. Sultan
,
Mohamed Osman El-Faki
,
Inas Osman Khojali Mohammed
Computational Chemistry
Vol.11 No.1
, January 20, 2023
DOI:
10.4236/cc.2023.111002
80
Downloads
449
Views
Citations
This article belongs to the Special Issue on
Designing Artemisinins with Antimalarial Potential, Combining Molecular Electrostatic Potential, Ligand-Heme Interaction and Multivariate Models
()
Josué de Jesus Oliveira Araújo
,
Ricardo Morais de Miranda
,
Jeferson Stiver Oliveira de Castro
,
Antonio Florêncio de Figueiredo
,
Ana Cecília Barbosa Pinheiro
,
Sílvia Simone dos Santos Morais
,
Marcos Antonio Barros dos Santos
,
Andréia de Lourdes Ribeiro Pinheiro
,
Andréia de Lourdes Ribeiro Pinheiro
,
Fábio dos Santos Gil
,
Heriberto Rodrigues Bitencourt
,
Gustavo Nery Ramos Alves
,
José Ciríaco Pinheiro
Computational Chemistry
Vol.11 No.1
, December 1, 2022
DOI:
10.4236/cc.2023.111001
190
Downloads
832
Views
Citations
This article belongs to the Special Issue on
Prediction of Anti-Inflammatory Activity of a Series of Pyrimidine Derivatives, by Multiple Linear Regression and Artificial Neural Networks
()
Yafigui Traoré
,
Jean Missa Ehouman
,
Mamadou Guy-Richard Koné
,
Donourou Diabaté
,
Nahossé Ziao
Computational Chemistry
Vol.10 No.4
, October 28, 2022
DOI:
10.4236/cc.2022.104009
135
Downloads
595
Views
Citations
This article belongs to the Special Issue on
Vibrational Spectroscopic Investigations, Electronic Properties, Molecular Structure and Quantum Mechanical Study of an Antifolate Drug: Pyrimethamine
()
Pélagie Manwal A Mekoung
,
Bel Youssouf G. Mountessou
,
Maraf B. Mbah
,
Martin Signe
,
Auguste Abouem A Zintchem
,
Charles P. N. Nanseu
,
Ibrahim N. Mbouombouo
Computational Chemistry
Vol.10 No.4
, September 9, 2022
DOI:
10.4236/cc.2022.104008
179
Downloads
932
Views
Citations
This article belongs to the Special Issue on
Mechanism of Degradation of Rice Starch Amylopectin by Oryzenin Using ONIOM Quantum Calculations [DFT/B3LYP/6-31+G(D, P): AM1]
()
Bamba El Hadji Sawaliho
,
N’Guessan Boka Robert
Computational Chemistry
Vol.10 No.4
, August 31, 2022
DOI:
10.4236/cc.2022.104007
155
Downloads
629
Views
Citations
This article belongs to the Special Issue on
A Statistical Evaluation of Uncoupling Protein 1 in the Limited Area of Brown Adipose Tissue by Immunoelectron Microscopy
()
Xiaomin Dong
,
Seiichi Chiba
,
Tatsuo Shimada
,
Fumihiko Hamada
Computational Chemistry
Vol.10 No.3
, July 29, 2022
DOI:
10.4236/cc.2022.103006
142
Downloads
737
Views
Citations
This article belongs to the Special Issue on
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