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Computational Molecular Bioscience

ISSN Print: 2165-3445

ISSN Online: 2165-3453

主页: http://www.scirp.org/journal/cmb

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Structural and Functional Annotation of Hypothetical Protein of Fusobacterium nucleatum Strain MJR7757B: An in Silico Approach

Md. Isrfil Hossen, Fouzia Mostafa, Nusrat Jahan, Jannatul Ferdaus, Amgad Albahi, Sayed Mashequl Bari

Expanding the Boundaries of the Chemical Space of DNA Methyltransferase 1 Modulators

Massyel S. Martínez-Cortés, Diana L. Prado-Romero, José L. Medina-Franco

Insight of Natural Compounds Halimane Diterpenoids against Mycobacterium tuberculosis: Virtual Screening, DFT, Drug-Likeness, and Molecular Dynamics Approach

Laurent Gael Eyia Andiga, Boris Davy Bekono, Désiré Mama Bikele, Pie Pascal Onguéné Amoa, Luc Calvin Owono Owono, Luc Léonard Mbaze Meva’a

Molecular Docking Studies of Botanical Beverage Mix Berries (LIFEGREENTM) against Breast Cancer Cells from Targeted Protein 1QQG, 7B5Q & 7B5O & Uterine Fibroid from Targeted Protein 2AYR, 6T41 & 3GRF

Ummi Shahieda Lazaroo Bt Zurrein Shah Lazaroo, Navanithan Sivanananthan, Chua Kia How

Systematic Analysis of Post-Translational Modifications for Increased Longevity of Biotherapeutic Proteins

Justin Kim, Karanveer Sadiora

Integration between Genomic and Computational Statistical Surveys for the Screening of SNP Genetic Variants in Inflammatory Bowel Disease (IBD) Pediatric Patients*

Dago Dougba Noel, Koffi N’Guessan Bénédicte Sonia, Dagnogo Olefongo, Daramcoum Wentoin Alimata Marie-Pierre, Mauro Giacomelli, Dagnogo Dramane, Eboulé Ago Eliane Rebecca, Yao Saraka Didier Martial, Diarrassouba Nafan, Giovanni Malerba, Raffaele Badolato

A Personalized Digital Code from Unique Genome Fingerprinting Pattern for Use in Identification and Application on Blockchain

Isaac Kise Lee

Analysis of Differential Gene Expression and Core Canonical Pathways Involved in the Epithelial to Mesenchymal Transition of Triple Negative Breast Cancer Cells by Ingenuity Pathway Analysis

Elizabeth Cagle, Brent Lake, Anasua Banerjee, Jazmine Cuffee, Narendra Banerjee, Darla Gilmartin, Makaiyah Liverman, Shennel Brown, Erik Armstrong, Santanu Bhattacharya, Somiranjan Ghosh, Tanmoy Mandal, Hirendra Banerjee

Computational Chemistry and Molecular Modeling Techniques for the Study of Micropeptin EI-964: Insights into Its Chemical Reactivity and Potential Pharmaceutical Properties

Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik

Type-2 Diabetes Mellitus and Glucagon-Like Peptide-1 Receptor toward Predicting Possible Association

Nabaa Kamal Alshafei, Intisar Hassan Saeed, Mona Abdelrahman Mohamed Khaier

A Computational Study of Microhydrated N-Acetyl-Phenylalaninylamide (NAPA): Kinetics and Thermodynamics

Mohammad Alauddin, Mohammad Masud Parvez, Mohammad Abdul Matin

Molecular Modeling and Molecular Dynamics Simulation Studies on the Selective Binding Mechanism of MTHFD2 Inhibitors

Mengyang Qu

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

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

Analysis of Proteotranscriptomics Landscape Reveals Differentially Regulated Pathways in Toxoplasma gondii Infected Mouse Liver

Tanzina Tarannum, Md. Saruar Alam, Atiqur Rahman, Sajib Chakraborty, Hossain Uddin Shekhar, Taibur Rahman

Antibody-Like Phosphorylation Sites. Theme for Studies of Cancer, Aging and Evolution

Jaroslav Kubrycht, Karel Sigler

Repurposing Antidiabetic Drugs against Respiratory Syncytial Viral Infection: A Docking Study

Emmanuel Oluwaseun Adediran

Theoretical Investigation of Ru(II) Complexes as Photosensitizer for Photodynamic Therapy

Bamba Kafoumba, Ouattara Lamoussa, Massapihanhoro Pierre Ouattara, Ouattara Wawohinlin Patrice, Diarrassouba Fatogoma, N’guessan Kouakou Nobel, Ehouman Ahissan Donatien, Ziao Nahossé

H2 and H∞-Feedback Control Design for Nonlinear Gene Networks via Successive Galerkin’s Approximation

Alexander W. Bae

Evolutionary Relationship of Protein Sequences of SARS-CoV-2 and Other Viruses through Chaos Game Representation

Matthew D. Hill, Kevin E. Simmons, Dipendra C. Sengupta

Bioinformatic Analysis of Insertion, Deletion, and Substitution Mutations in the Human β-Globin Gene

Edgar Miguel Bustamante Cárdenas

Prediction of Interaction Sites of PcRab7-VP28

Xiaofeng Ji, Yuan Zheng, Jun Sheng

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

Kassim F. Adebambo, Nadia Haji

Global Genomic Variations of Pathogenic Bacteria Salmonella Reading

Woo Hyung Lee, Yein Jeon, Jonathan S. Chung, Woo Jun Shim, Min Jae Shin, Seok Gyu Han, Seunghan Baek, James Kim, Jaewoo Kim, Paul S. Chung

Reinforcement Learning of Molecule Optimization with Bayesian Neural Networks

Wei Hu

Chemoinformatic Resources for Organometallic Drug Discovery

José L. Medina-Franco, Yesenia Cruz-Lemus, Yazmin Percastre-Cruz

Conserved Immunoglobulin Domain Similarities of Higher Plant Proteins

Jaroslav Kubrycht, Karel Sigler

Computational Investigation of the Interaction of Anti-Influenza Drugs with CoVID-19 Protein

Kassim F. Adebambo

Similarity Studies of Corona Viruses through Chaos Game Representation

Dipendra C. Sengupta, Matthew D. Hill, Kevin R. Benton, Hirendra N. Banerjee

Human RhCG Ammonia Conduction Mechanism

Henry J. Hoyhtya, Hanna J. Koster, Maggie M. Christiansen, Ugur Akgun

Purine and Pyrimidine-Linked Enzymes and Genes are Strongly Responsible for the Development of Tumors, Particularly Glioblastoma Multiforme

Kristine Edgar Danielyan, Tatul Ashot Yeghiazaryan, Samvel Grigoriy Chailyan, Levon Ruben Harutyunyan, Ruben Levon Harutyunyan, Gurgen Sergei Petrosyan

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

Abaysew Ayele, Baba Abdissa, Dereje Taye, Bereket Yemane, Rita Singh Majumdar

Molecular Docking and Conceptual DFT-Based Study of Some Potential SARS-CoV-2 Inhibitors

Norma Flores-Holguín, Daniel Glossman-Mitnik

Conceptual Density Functional Theory Study of the Chemical Reactivity Properties and Bioactivity Scores of the Leu-Enkephalin Opioid Peptide Neurotransmitter

Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik

Spontaneous Unfolding and Refolding of Plantaricin α-Helix in Molecular Dynamics Simulation

Shaomin Yan, Guang Wu

Bacterial Heavy Metal Resistance Genes and Bioremediation Potential

Hannah Johnson, Hyuk Cho, Madhusudan Choudhary

Chemical Reactivity Properties, Drug-Likeness Features and Bioactivity Scores of the Cholecystokinin Peptide Hormone

Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik

Studies of the Chemical Reactivity of a Series of Rhodanine Derivatives by Approaches to Quantum Chemistry

Wacothon Karime Coulibaly, Jean Stéphane N’dri, Mamadou Guy-Richard Koné, Camille Déliko Dago, Christelle N’ta Ambeu, Jean-Pierre Bazureau, Nahossé Ziao

DFT Study, Linear and Nonlinear Multiple Regression in the Prediction of HDAC7 Inhibitory Activities on a Series of Hydroxamic Acids

Doh Soro, Lynda Ekou, Bafétigué Ouattara, Mamadou Guy-Richard Kone, Tchirioua Ekou, Nahossé Ziao

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

Asad Ullah, Nazmul Islam Prottoy, Yusha Araf, Sohana Hossain, Bishajit Sarkar, Ananna Saha

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

Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik

Inferring Multi-Type Birth-Death Parameters for a Structured Host Population with Application to HIV Epidemic in Africa

Hassan W. Kayondo, Samuel Mwalili, John M. Mango

Molecular Modeling of Potential Dual Inhibitors of HIV Reverse Transcriptase and Integrase

Alberto Cabrera, Leonor Huerta Hernández, Daniel Chávez, José L. Medina-Franco

Bioinformatic Survey of S-Layer Proteins in Bifidobacteria

Juan Li, Yihao Shen, Yatao Jiang, Le He, Zhongke Sun

Chemical Reactivity Theory (CRT) Study of the Melanoidin M8: Local Conceptual Density Functional Theory Descriptors

Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik

Molecular Docking Investigation of New Inhibitors of Falciparum vivax

Kassim Adebambo, Sinthusan Gunaratnam

Biophysical Mechanism of the SAHA Inhibition of Zn2+-Histone Deacetylase-Like Protein (FB188 HDAH) Assessed via Crystal Structure Analysis

Cynthia Raquel Trejo-Mu？oz, Ricardo Vázquez-Ramírez, Luis Mendoza, Carlos Kubli-Garfias

Two Methods for Calculating the Size Distribution of Ferritin’s Outer Diameter

Xinye Zhao, Junhui Gao

Molecular Modeling of Quinoline-Based Compounds as Potential Dual Inhibitors of Reverse Transcriptase and Integrase of HIV

Alberto Cabrera, Leonor Huerta Hernández, Daniel Chávez, José L. Medina-Franco

Isolation of a Microorganic Strain for the High Volume Degradation of Aniline Blue and Its Application in Natural Sewage Treatment

Wenhao Li, Cheng Li, Yuxiang Xu, Qin Wang, Xin Ma, Shouwen Chen, Jun Yu, Yong Yang

Molecular Docking and ADMET Study of Emodin Derivatives as Anticancer Inhibitors of NAT2, COX2 and TOP1 Enzymes

Daniel M. Shadrack, Valence M. K. Ndesendo

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