Top Cited Articles
(54 articles with 333 citations as of April 2021)

• Application of Hartree-Fock Method for Modeling of Bioactive Molecules Using SAR and QSPR, Computational Molecular Bioscience, Vol.4 No.1, 2014
• Cleydson B. R. Santos, Cleison C. Lobato, Francinaldo S. Braga, Sílvia S. S. Morais, Cesar F. Santos, Caio P. Fernandes, Davi S. B. Brasil, Lorane I. S. Hage-Melim, Williams J. C. Macêdo, José C. T. Carvalho
• Citations: 27 (Details)

• Chemoinformatic Approaches for Inhibitors of DNA Methyltransferases: Comprehensive Characterization of Screening Libraries, Computational Molecular Bioscience, Vol.1 No.1, 2011
• Jakyung Yoo, José Luis Medina-Franco
• Citations: 21 (Details)

• Role of Ligand Reorganization and Conformational Restraints on the Binding Free Energies of DAPY Non-Nucleoside Inhibitors to HIV Reverse Transcriptase, Computational Molecular Bioscience, Vol.2 No.1, 2012
• Emilio Gallicchio
• Citations: 20 (Details)

• A DFT/ECP-Small Basis Set Modelling of Cisplatin: Molecular Structure and Vibrational Spectrum, Computational Molecular Bioscience, Vol.2 No.2, 2012
• Nicolay I. Dodoff
• Citations: 20 (Details)

• Computational Analysis of Physicochemical, Pharmacokinetic and Toxicological Properties of Deoxyhypusine Synthase Inhibitors with Antimalarial Activity, Computational Molecular Bioscience, Vol.4 No.4, 2014
• Nayara S. R. Silva, Luana K. S. Gonçalves, Jonatas L. Duarte, Juliane S. Silva, César F. Santos, Francinaldo S. Braga, Raí C. Silva, Josivan S. Costa, Lorane I. S. Hage-Melim, Cleydson B. R. dos Santos
• Citations: 19 (Details)

• Molecular Docking and Pharmacological Property Analysis of Phytochemicals from Clitoria ternatea as Potent Inhibitors of Cell Cycle Checkpoint Proteins in the Cyclin/CDK Pathway in Cancer Cells, Computational Molecular Bioscience, Vol.9 No.3, 2019
• Asad Ullah, Nazmul Islam Prottoy, Yusha Araf, Sohana Hossain, Bishajit Sarkar, Ananna Saha
• Citations: 16 (Details)

• Impact of Mutations on K-Ras-p120GAP Interaction, Computational Molecular Bioscience, Vol.3 No.2, 2013
• Chunxia Gao, Leif A. Eriksson
• Citations: 15 (Details)

• A Review on Phylogenetic Analysis: A Journey through Modern Era, Computational Molecular Bioscience, Vol.4 No.3, 2014
• Sourav Singha Roy, Rakhi Dasgupta, Angshuman Bagchi
• Citations: 14 (Details)

• Evaluation of Quantum Chemical Methods and Basis Sets Applied in the Molecular Modeling of Artemisinin, Computational Molecular Bioscience, Vol.3 No.3, 2013
• Cleydson B. R. dos Santos, Cleison C. Lobato, Josinete B. Vieira, Davi S. B. Brasil, Alaan U. Brito, Williams J. C. Macêdo, José Carlos T. Carvalho, José C. Pinheiro
• Citations: 11 (Details)

• Molecular Docking Studies of Myricetin and Its Analogues against Human PDK-1 Kinase as Candidate Drugs for Cancer, Computational Molecular Bioscience, Vol.5 No.2, 2015
• Shalini Singh, Pradeep Srivastava
• Citations: 11 (Details)

• Amino Acid Biosynthesis and Proteolysis in Lactobacillus Bulgaricus Revisited: A Genomic Comparison, Computational Molecular Bioscience, Vol.2 No.3, 2012
• Enuo Liu, Pei Hao, Tomonobu Konno, Yao Yu, Munehiro Oda, Huajun Zheng, Zai-Si Ji
• Citations: 10 (Details)

• Chemical Reactivity Properties, Drug-Likeness Features and Bioactivity Scores of the Cholecystokinin Peptide Hormone, Computational Molecular Bioscience, Vol.9 No.2, 2019
• Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
• Citations: 10 (Details)

• A Brief Overview of a Few Popular and Important Protein Databases, Computational Molecular Bioscience, Vol.2 No.4, 2012
• Angshuman Bagchi
• Citations: 9 (Details)

• Molecular Dynamics Simulations of DOPC Lipid Bilayers: The Effect of Lennard-Jones Parameters of Hydrocarbon Chains, Computational Molecular Bioscience, Vol.2 No.3, 2012
• Anping Liu, Xiaoyang Qi
• Citations: 7 (Details)

• A Systems Biological Perspective of Cellular Stress-Directed Programmed Cell Death, Computational Molecular Bioscience, Vol.4 No.1, 2014
• Orsolya Kapuy, Beáta Lizák, Ibolya Stiller, Gábor Bánhegyi
• Citations: 7 (Details)

• Molecular Features of Highly Pathogenic Avian and Human H5N1 Influenza A Viruses in Asia, Computational Molecular Bioscience, Vol.2 No.2, 2012
• Wei Hu
• Citations: 6 (Details)

• BEAR, a Molecular Docking Refinement and Rescoring Method, Computational Molecular Bioscience, Vol.3 No.2, 2013
• Andrew Anighoro, Giulio Rastelli
• Citations: 6 (Details)

• Quantitative Structure Anti-Cancer Activity Relationship (QSAR) of a Series of Ruthenium Complex Azopyridine by the Density Functional Theory (DFT) Method, Computational Molecular Bioscience, Vol.7 No.2, 2017
• Kouakou Nobel N’guessan, Mamadou Guy-Richard Koné, Kafoumba Bamba, Ouattara Wawohinlin Patrice, Nahossé Ziao
• Citations: 6 (Details)

• Bacterial Heavy Metal Resistance Genes and Bioremediation Potential, Computational Molecular Bioscience, Vol.9 No.1, 2019
• Hannah Johnson, Hyuk Cho, Madhusudan Choudhary
• Citations: 6 (Details)

• Conceptual Density Functional Theory Study of the Chemical Reactivity Properties and Bioactivity Scores of the Leu-Enkephalin Opioid Peptide Neurotransmitter, Computational Molecular Bioscience, Vol.9 No.1, 2019
• Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik
• Citations: 6 (Details)

• Similarity Studies of Corona Viruses through Chaos Game Representation, Computational Molecular Bioscience, Vol.10 No.3, 2020
• Dipendra C. Sengupta, Matthew D. Hill, Kevin R. Benton, Hirendra N. Banerjee
• Citations: 5 (Details)

• Modeling Structures and Spectra of Fluorescent Proteins in the Coordinate-Locking Cluster Approach: Application to the Photoswitchable Protein AsFP595, Computational Molecular Bioscience, Vol.2 No.3, 2012
• I. Topol, J. Collins, A. Nemukhin
• Citations: 5 (Details)

• In Silico Evaluation of Anti-Malarial Agents from Hoslundia opposita as Inhibitors of Plasmodium falciparum Lactate Dehydrogenase (PfLDH) Enzyme, Computational Molecular Bioscience, Vol.6 No.2, 2016
• Daniel M. Shadrack, Stephen S. Nyandoro, Joan J. E. Munissi, Egid B. Mubofu
• Citations: 5 (Details)

• Application of Graph Entropy in CRISPR and Repeats Detection in DNA Sequences, Computational Molecular Bioscience, Vol.6 No.3, 2016
• Dipendra C. Sengupta, Jharna D. Sengupta
• Citations: 4 (Details)

• Molecular Docking and ADMET Study of Emodin Derivatives as Anticancer Inhibitors of NAT2, COX2 and TOP1 Enzymes, Computational Molecular Bioscience, Vol.7 No.1, 2017
• Daniel M. Shadrack, Valence M. K. Ndesendo
• Citations: 4 (Details)

• Virtual Screening and Molecular Docking for Arylalkylamine-N-Acetyltransferase (aaNAT) Inhibitors, a Key Enzyme of Aedes (Stegomyia) aegypti (L.) Metabolism, Computational Molecular Bioscience, Vol.5 No.3, 2015
• Bruno Luis Alves Lourenço, Maicon Vinícius Araújo Santos Silva, Elisson Barros de Oliveira, Wagner Rodrigues de Assis Soares, Aristóteles Góes-Neto, Gesivaldo Santos, Bruno Silva Andrade
• Citations: 4 (Details)

• Evaluation of CDK6 and p16/INK4a-Derived Peptides Interaction, Computational Molecular Bioscience, Vol.3 No.3, 2013
• Andrey Kazennov, Andrey Alekseenko, Vladimir Bozhenko, Tatiana Kulinich, Nikolay Shuvalov, Yaroslav Kholodov
• Citations: 4 (Details)

• Factors That Affect the Computational Prediction of Hot Spots in Protein-Protein Complexes, Computational Molecular Bioscience, Vol.2 No.1, 2012
• Jianping Lin, Pi Liu, Hua-Zheng Yang, Nagarajan Vaidehi
• Citations: 4 (Details)

• Computational Investigation of the Interaction of Anti-Influenza Drugs with CoVID-19 Protein, Computational Molecular Bioscience, Vol.10 No.2, 2020
• Kassim F. Adebambo
• Citations: 4 (Details)

• Chemical Reactivity Theory (CRT) Study of the Melanoidin M8: Local Conceptual Density Functional Theory Descriptors, Computational Molecular Bioscience, Vol.8 No.2, 2018
• Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik
• Citations: 3 (Details)

• Mutations in Hemagglutinin of H5N1 Influenza That Switch Receptor Specificity from Avian to Human Types, Computational Molecular Bioscience, Vol.3 No.2, 2013
• Wei Hu
• Citations: 3 (Details)

• Modeling and Simulation of Molecular Mechanism of Action of Dietary Polyphenols on the Inhibition of Anti-Apoptotic PI3K/AKT Pathway, Computational Molecular Bioscience, Vol.3 No.3, 2013
• Pedro Pablo González-Pérez, Maura Cárdenas-García
• Citations: 3 (Details)

• Quantum-Chemical Description of Influence of the R-Groups on Formation of Peptide Bond, Computational Molecular Bioscience, Vol.4 No.2, 2014
• Jumber Kereselidze, Marine Kvaraia, George Mikuchadze
• Citations: 3 (Details)

• Use of FFT in Protein Sequence Comparison under Their Binary Representations, Computational Molecular Bioscience, Vol.6 No.2, 2016
• Jayanta Pal, Soumen Ghosh, Bansibadan Maji, Dilip Kumar Bhattacharya
• Citations: 3 (Details)

• Interaction of Cationic and Anionic Phthalocyanines with Adenosine Deaminase, Molecular Dynamics Simulation and Docking Studies, Computational Molecular Bioscience, Vol.3 No.4, 2013
• Davood Ajloo, Seyyed Morteza Fazeli, Farhad Janbaz Amirani
• Citations: 2 (Details)

• Positional Information Storage in Sequence Patterns, Computational Molecular Bioscience, Vol.3 No.2, 2013
• Alexey A. Shadrin, Andrei Grigoriev, Dmitri V. Parkhomchuk
• Citations: 2 (Details)

• Population Dynamics Approach for the Study of Synergetic Coupling between Antibiotic and Helper Compounds, Computational Molecular Bioscience, Vol.2 No.1, 2012
• Christian T. Veje, Morten Willatzen, Oliver Hendricks, Jean-Marie Pagès, Jette Kristiansen
• Citations: 2 (Details)

• A mathematical Model for Inter-Cellular Inductive, Computational Molecular Bioscience, Vol.2 No.3, 2012
• Jeyaraman Srividhya
• Citations: 2 (Details)

• Detecting Periodicity Associated with the Alpha-Helix Structure Using Fourier Transform, Computational Molecular Bioscience, Vol.2 No.4, 2012
• Wen Cheng, Changhui Yan
• Citations: 2 (Details)

• Molecular Docking Investigation of New Inhibitors of Falciparum vivax, Computational Molecular Bioscience, Vol.8 No.2, 2018
• Kassim Adebambo, Sinthusan Gunaratnam
• Citations: 2 (Details)

• Bioinformatic Survey of S-Layer Proteins in Bifidobacteria, Computational Molecular Bioscience, Vol.8 No.2, 2018
• Juan Li, Yihao Shen, Yatao Jiang, Le He, Zhongke Sun
• Citations: 2 (Details)

• COVID-2019 Genome Sequence Analysis: Phylogenetic Molecular Evolution and Docking of Structural Modelling of Receptor Binding Domain of S Protein in Active Site of ACE2, Computational Molecular Bioscience, Vol.10 No.3, 2020
• Abaysew Ayele, Baba Abdissa, Dereje Taye, Bereket Yemane, Rita Singh Majumdar
• Citations: 2 (Details)

• Inferring Multi-Type Birth-Death Parameters for a Structured Host Population with Application to HIV Epidemic in Africa, Computational Molecular Bioscience, Vol.9 No.4, 2019
• Hassan W. Kayondo, Samuel Mwalili, John M. Mango
• Citations: 2 (Details)

• Chemoinformatic Resources for Organometallic Drug Discovery, Computational Molecular Bioscience, Vol.10 No.1, 2020
• José L. Medina-Franco, Yesenia Cruz-Lemus, Yazmin Percastre-Cruz
• Citations: 2 (Details)

• DNA Methyltransferases Directed Anti-Cancerous Plant Medicine (Xanthomicrol and Galloyl) Based Molecular Docking and Dynamics Simulation, Computational Molecular Bioscience, Vol.5 No.2, 2015
• Ehsan Heidari Soureshjani, Ali Kazemi Babaheydari, Elahe Saberi
• Citations: 2 (Details)

• DFT Study, Linear and Nonlinear Multiple Regression in the Prediction of HDAC7 Inhibitory Activities on a Series of Hydroxamic Acids, Computational Molecular Bioscience, Vol.9 No.3, 2019
• Doh Soro, Lynda Ekou, Bafétigué Ouattara, Mamadou Guy-Richard Kone, Tchirioua Ekou, Nahossé Ziao
• Citations: 2 (Details)

• Studies of the Chemical Reactivity of a Series of Rhodanine Derivatives by Approaches to Quantum Chemistry, Computational Molecular Bioscience, Vol.9 No.3, 2019
• Wacothon Karime Coulibaly, Jean Stéphane N’dri, Mamadou Guy-Richard Koné, Camille Déliko Dago, Christelle N’ta Ambeu, Jean-Pierre Bazureau, Nahossé Ziao
• Citations: 1 (Details)

• Molecular Modeling of Potential Dual Inhibitors of HIV Reverse Transcriptase and Integrase, Computational Molecular Bioscience, Vol.8 No.1, 2018
• Alberto Cabrera, Leonor Huerta Hernández, Daniel Chávez, José L. Medina-Franco
• Citations: 1 (Details)

• Two Methods for Calculating the Size Distribution of Ferritin’s Outer Diameter, Computational Molecular Bioscience, Vol.8 No.3, 2018
• Xinye Zhao, Junhui Gao
• Citations: 1 (Details)

• Isolation of a Microorganic Strain for the High Volume Degradation of Aniline Blue and Its Application in Natural Sewage Treatment, Computational Molecular Bioscience, Vol.8 No.4, 2018
• Wenhao Li, Cheng Li, Yuxiang Xu, Qin Wang, Xin Ma, Shouwen Chen, Jun Yu, Yong Yang
• Citations: 1 (Details)

• Hierarchy of Protein Loop-Lock Structures: A New Server for the Decomposition of a Protein Structure into a Set of Closed Loops, Computational Molecular Bioscience, Vol.3 No.1, 2013
• Simon Kogan, Zakharia Frenkel, Oleg Kupervasser, Zeev Volkovich
• Citations: 1 (Details)

• The Impact of NA Stalk Deletion on HA Receptor Binding Specificity of Avian H7N9 in China in 2013-14 and Avian H7N7 in Netherlands in 2003, Computational Molecular Bioscience, Vol.5 No.1, 2015
• Wei Hu
• Citations: 1 (Details)

• A Structural Comparison Approach for Identifying Small Variations in Binding Sites of Homologous Proteins, Computational Molecular Bioscience, Vol.5 No.3, 2015
• Ivana Uzelac, Thomas Olsson, Leif A. Eriksson, Johan Gottfries
• Citations: 1 (Details)

• Binding Study of Cis-Atovaquone with Cytochrome bc1 of Yeast, Computational Molecular Bioscience, Vol.5 No.4, 2015
• Srijita Basumallick, T. N. Guru Row
• Citations: 1 (Details)