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

Application of Hartree-Fock Method for Modeling of Bioactive Molecules Using SAR and QSPR ,CMB,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: 20(Details)

Role of Ligand Reorganization and Conformational Restraints on the Binding Free Energies of DAPY Non-Nucleoside Inhibitors to HIV Reverse Transcriptase ,CMB,Vol.2 No.1, 2012
Emilio Gallicchio
Citations: 19(Details)

A DFT/ECP-Small Basis Set Modelling of Cisplatin: Molecular Structure and Vibrational Spectrum ,CMB,Vol.2 No.2, 2012
Nicolay I. Dodoff
Citations: 17(Details)

Computational Analysis of Physicochemical, Pharmacokinetic and Toxicological Properties of Deoxyhypusine Synthase Inhibitors with Antimalarial Activity ,CMB,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: 15(Details)

Impact of Mutations on K-Ras-p120GAP Interaction ,CMB,Vol.3 No.2, 2013
Chunxia Gao Leif A. Eriksson
Citations: 15(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 ,CMB,Vol.9 No.3, 2019
Asad Ullah Nazmul Islam Prottoy Yusha Araf Sohana Hossain Bishajit Sarkar Ananna Saha
Citations: 12(Details)

Evaluation of Quantum Chemical Methods and Basis Sets Applied in the Molecular Modeling of Artemisinin ,CMB,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 ,CMB,Vol.5 No.2, 2015
Shalini Singh Pradeep Srivastava
Citations: 11(Details)

A Review on Phylogenetic Analysis: A Journey through Modern Era ,CMB,Vol.4 No.3, 2014
Sourav Singha Roy Rakhi Dasgupta Angshuman Bagchi
Citations: 10(Details)

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

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

Amino Acid Biosynthesis and Proteolysis in Lactobacillus Bulgaricus Revisited: A Genomic Comparison ,CMB,Vol.2 No.3, 2012
Enuo Liu Pei Hao Tomonobu Konno Yao Yu Munehiro Oda Huajun Zheng Zai-Si Ji
Citations: 7(Details)

Molecular Dynamics Simulations of DOPC Lipid Bilayers: The Effect of Lennard-Jones Parameters of Hydrocarbon Chains ,CMB,Vol.2 No.3, 2012
Anping Liu Xiaoyang Qi
Citations: 5(Details)

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

Molecular Features of Highly Pathogenic Avian and Human H5N1 Influenza A Viruses in Asia ,CMB,Vol.2 No.2, 2012
Wei Hu
Citations: 5(Details)

Quantitative Structure Anti-Cancer Activity Relationship (QSAR) of a Series of Ruthenium Complex Azopyridine by the Density Functional Theory (DFT) Method ,CMB,Vol.7 No.2, 2017
Kouakou Nobel N’guessan Mamadou Guy-Richard Koné Kafoumba Bamba Ouattara Wawohinlin Patrice Nahossé Ziao
Citations: 5(Details)

BEAR, a Molecular Docking Refinement and Rescoring Method ,CMB,Vol.3 No.2, 2013
Andrew Anighoro Giulio Rastelli
Citations: 5(Details)

Virtual Screening and Molecular Docking for Arylalkylamine-N-Acetyltransferase (aaNAT) Inhibitors, a Key Enzyme of Aedes (Stegomyia) aegypti (L.) Metabolism ,CMB,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)

Conceptual Density Functional Theory Study of the Chemical Reactivity Properties and Bioactivity Scores of the Leu-Enkephalin Opioid Peptide Neurotransmitter ,CMB,Vol.9 No.1, 2019
Juan Frau Norma Flores-Holguín Daniel Glossman-Mitnik
Citations: 4(Details)

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

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

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

Chemical Reactivity Properties, Drug-Likeness Features and Bioactivity Scores of the Cholecystokinin Peptide Hormone ,CMB,Vol.9 No.2, 2019
Norma Flores-Holguín Juan Frau Daniel Glossman-Mitnik
Citations: 3(Details)

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

In Silico Evaluation of Anti-Malarial Agents from Hoslundia opposita as Inhibitors of Plasmodium falciparum Lactate Dehydrogenase (PfLDH) Enzyme ,CMB,Vol.6 No.2, 2016
Daniel M. Shadrack Stephen S. Nyandoro Joan J. E. Munissi Egid B. Mubofu
Citations: 3(Details)

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

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

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

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

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

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

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

Evaluation of CDK6 and p16/INK4a-Derived Peptides Interaction ,CMB,Vol.3 No.3, 2013
Andrey Kazennov Andrey Alekseenko Vladimir Bozhenko Tatiana Kulinich Nikolay Shuvalov Yaroslav Kholodov
Citations: 2(Details)

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

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

Bacterial Heavy Metal Resistance Genes and Bioremediation Potential ,CMB,Vol.9 No.1, 2019
Hannah Johnson Hyuk Cho Madhusudan Choudhary
Citations: 2(Details)

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

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

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

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

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

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

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 ,CMB,Vol.5 No.1, 2015
Wei Hu
Citations: 1(Details)

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

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

Computational Investigation of the Interaction of Anti-Influenza Drugs with CoVID-19 Protein ,CMB,Vol.10 No.2, 2020
Kassim F. Adebambo
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 ,CMB,Vol.3 No.1, 2013
Simon Kogan Zakharia Frenkel Oleg Kupervasser Zeev Volkovich
Citations: 1(Details)

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

Bioinformatic Survey of S-Layer Proteins in Bifidobacteria ,CMB,Vol.8 No.2, 2018
Juan Li Yihao Shen Yatao Jiang Le He Zhongke Sun
Citations: 1(Details)