Top Cited Articles
(61 articles with 442 citations as of December 2018)

• 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: 33 (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: 25 (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: 22 (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: 22 (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: 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)

• Impact of Mutations on K-Ras-p120GAP Interaction, Computational Molecular Bioscience, Vol.3 No.2, 2013
• Chunxia Gao, Leif A. Eriksson
• Citations: 15 (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: 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: 13 (Details)

• Bacterial Heavy Metal Resistance Genes and Bioremediation Potential, Computational Molecular Bioscience, Vol.9 No.1, 2019
• Hannah Johnson, Hyuk Cho, Madhusudan Choudhary
• Citations: 13 (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: 12 (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: 12 (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: 12 (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: 11 (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: 11 (Details)

• A Brief Overview of a Few Popular and Important Protein Databases, Computational Molecular Bioscience, Vol.2 No.4, 2012
• Angshuman Bagchi
• Citations: 10 (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: 9 (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: 9 (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: 9 (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: 8 (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: 7 (Details)

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

• 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: 6 (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: 6 (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: 6 (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: 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)

• 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: 5 (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: 5 (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)

• 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)

• 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: 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)

• 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)

• Stability Analysis for the Cellular Signaling Systems Composed of Two Phosphorylation-Dephosphorylation Cyclic Reactions, Computational Molecular Bioscience, Vol.7 No.3, 2017
• Chinasa Sueyoshi, Takashi Naka
• Citations: 3 (Details)

• Molecular Docking Investigation of New Inhibitors of Falciparum vivax, Computational Molecular Bioscience, Vol.8 No.2, 2018
• Kassim Adebambo, Sinthusan Gunaratnam
• Citations: 3 (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: 3 (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: 3 (Details)

• Computational Study of the Chemical Reactivity and Bioactivity Rates of Marine Peptides Hemiasterlin and Its A and B Derivatives Used in the Cancer Treatment through Conceptual Density Functional Theory, Computational Molecular Bioscience, Vol.9 No.4, 2019
• Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
• 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)

• 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)

• 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: 2 (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: 2 (Details)

• Reinforcement Learning of Molecule Optimization with Bayesian Neural Networks, Computational Molecular Bioscience, Vol.11 No.4, 2021
• Wei Hu
• 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)

• Molecular Docking Study of the Binding Interaction of Hydroxychloroquine, Dexamethasone and Other Anti-Inflammatory Drugs with SARS-CoV-2 Protease and SARS-CoV-2 Spikes Glycoprotein, Computational Molecular Bioscience, Vol.11 No.2, 2021
• Kassim F. Adebambo, Nadia Haji
• 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)

• 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)

• 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)

• 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)

• 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)

• 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)

• 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: 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)

• Prediction of Interaction Sites of PcRab7-VP28, Computational Molecular Bioscience, Vol.11 No.2, 2021
• Xiaofeng Ji, Yuan Zheng, Jun Sheng
• Citations: 1 (Details)

• A Study of Differential Gene Expression and Core Canonical Pathways Involved in Rhenium Ligand Treated Epithelial Mesenchymal Transition (EMT) Induced A549 Lung Cancer Cell Lines by INGENUITY Software System, Computational Molecular Bioscience, Vol.12 No.1, 2022
• Christopher Krauss, Chelsey Aurelus, Kayla Johnston, Joseph Hedley, Satyendra Banerjee, Sarah Wisniewski, Quentin Reaves, Khadimou Dia, Shenell Brown, Victoria Bartlet, Sheritta Gavin, Jazmine Cuffee, Narendra Banerjee, Kuldeep Rawat, Santosh Mandal, Zahidur Abedin, Somiranjan Ghosh, Hirendra Banerjee
• Citations: 1 (Details)

• Biophysical Mechanism of the SAHA Inhibition of Zn²⁺-Histone Deacetylase-Like Protein (FB188 HDAH) Assessed via Crystal Structure Analysis, Computational Molecular Bioscience, Vol.8 No.2, 2018
• Cynthia Raquel Trejo-Muñoz, Ricardo Vázquez-Ramírez, Luis Mendoza, Carlos Kubli-Garfias
• 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)