Mohammad Hossein Karimi-jafari

1. Intermediate-aided allostery mechanism for α-glucosidase by Xanthene-11v as an inhibitor using residue interaction network analysis

Moosavi Movahedi Zahra, Salehi Najmeh, Habibi Rezaei Mehran, Qassemi Farzad, Karimi-jafari Mohammad Hossein (2023)., JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 122(1), 108495.

2. Identification of Catechins’ Binding Sites in Monomeric Aβ42 through Ensemble Docking and MD Simulations

Firozi Roholla, Sowlati-Hashjin Shahin, Chavez-Garcia Cecilia, Ashoori Mitra, Karimi-jafari Mohammad Hossein, Karttunen Mikko (2023)., INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 24(9), 8161.

3. Design of a dual-function agent by fusing a designed anti-VEGF-A binder and CPG-2 enzyme

Etemadi Ali, Karimi-jafari Mohammad Hossein, negahdari Babak, Asgari Yazdan, Khorramizadeh Mohammad Reza, Mohammadian Farideh, Mazloomi Mohammadali (2023)., JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 1(1), 1-8.

4. Machine Learning and Pattern Recognition Methods in Chemistry from Multivariate and Data Driven Modeling

Namazi Mohsen, Karimi-jafari Mohammad Hossein, Qassemi Farzad, Ghasemi Jahan Bakhsh (2023).

1. Metastatic triple negative breast cancer adapts its metabolism to destination tissues while retaining key metabolic signatures

Roshanzamir Fariba, Robinson Jonathan, Cook Daniel, Karimi-jafari Mohammad Hossein, Nielsen Jens (2022)., Proceedings of the National Academy of Sciences of the United States of America, 119(35).

2. Binder design for targeting SARS-CoV-2 spike protein: An in silico perspective

Etemadi Ali, Moradi Hamid Reza, Mohammadian Farideh, Karimi-jafari Mohammad Hossein, نگاهداری بابک, Asgari Yazdan, Mazloomi Mohammadali (2022)., Gene Reports, 26(1), 101452.

3. Structural insights into the substrate‐binding site of main protease for the structure‐based COVID‐19 drug discovery

Firozi Roholla, Ashoori Mitra, Karimi-jafari Mohammad Hossein (2022)., PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 1(1).

4. Electrostatically induced pKa shifts in oligopeptides: the upshot of neighboring side chains

نوروزی امیر, Lazar Alexandra, Karimi-jafari Mohammad Hossein, Firozi Roholla, Nau Werner (2022)., AMINO ACIDS, 54(2), 277-287.

5. Ensemble learning from ensemble docking: revisiting the optimum ensemble size problem

Mohammadi Sara, Narimani Zahra, Ashoori Mitra, Firozi Roholla, Karimi-jafari Mohammad Hossein (2022)., Scientific Reports, 12(1).

1. Prediction of antimicrobial peptides toxicity based on their physico-chemical properties using machine learning techniques

Khabbaz Khob H.., Karimi-jafari Mohammad Hossein, Saboury Ali Akbar, Babaali Bagher (2021)., BMC BIOINFORMATICS, 22(1).

2. Integration and gene co-expression network analysis of scRNA-seq transcriptomes reveal heterogeneity and key functional genes in human spermatogenesis

Salehi Najmeh, Karimi-jafari Mohammad Hossein, توتونچی مهدی, امیری یکتا امیر (2021)., Scientific Reports, 11(1).

3. Computational evidence of new putative allosteric sites in the acetylcholinesterase receptor

Moghadam Behnaz, Ashoori Mitra, Roohi Hossein, Karimi-jafari Mohammad Hossein (2021)., JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 107(1), 107981.

4. ET‐score: Improving Protein‐ligand Binding Affinity Prediction Based on Distance‐weighted Interatomic Contact Features Using Extremely Randomized Trees Algorithm

Rayka Milad, Karimi-jafari Mohammad Hossein, Firouzi Rohouhllah (2021)., Molecular Informatics, 40(1).

5. Application of semi-empirical quantum mechanical methods to estimate biomolecular interactions

Karimi-jafari Mohammad Hossein, Firozi Roholla, bagheri saleh (2021).

6. A predictive model for discriminating toxic and non-toxic anti-microbial peptides based on their physico-chemical properties

Khabbaz Khob H.., Karimi-jafari Mohammad Hossein, Babaali B.., Saboury Ali Akbar (2021)., 6th IASBS Symposium in Biological Sciences and 16th Conference of Iran Society of Biophysical Chemistry (ISOBC), 4-5 February.

1. Using the Semiempirical Quantum Mechanics in Improving the Molecular Docking: A Case Study with CDK2

bagheri saleh, Behnejad Hassan, Firozi Roholla, Karimi-jafari Mohammad Hossein (2020)., Molecular Informatics, 39(9), 2000036.

2. iMM1865: A New Reconstruction of Mouse Genome-Scale Metabolic Model

Khodaee Saeideh, Asgari Yazdan, totonchi mehdi, Karimi-jafari Mohammad Hossein (2020)., Scientific Reports, 10(1).

1. Identification of a missense variant in CLDN2 in obstructive azoospermia

Askari Masomeh, Karamzadeh Razieh, Ansari-Pour Naser, Karimi-jafari Mohammad Hossein, Almadani Navid, Sadighi Gilani Mohammad Ali, Gourabi Hamid, Vosough Taghi Dizaj Ahmad, Mohseni Meybodi Anahita, صادقی مهدی, Bashamboo Anu, McElreavey Ken, totonchi mehdi (2019)., JOURNAL OF HUMAN GENETICS, 64(10), 1023-1032.

2. ʺPolymyxins interaction to the human serum albumin: A thermodynamic and computational study

Poursoleiman Atefeh, Karimi-jafari Mohammad Hossein, Zolmajd-Haghighi Zahara, Bagheri Mojtaba, Haertle T.., Rezaei Behbehani G.., Ghasemi A.., Stroylova Y.Y., Muronetz V.I., Saboury Ali Akbar (2019)., SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 217(1), 155-163.

1. Biological evaluation of 9-(1H-Indol-3-yl) xanthen-4-(9H)-ones derivatives as noncompetitive α-glucosidase inhibitors: kinetics and molecular mechanisms

Nourisefat Maryam, Salehi Najmeh, Yousefinejad Saeed, Panahi Farhad, Amanlou Massoud, کوثر باقرزاده, علی خلفی نژاد, Karimi-jafari Mohammad Hossein, Sheibani Nader, Moosavi Movahhedi Ali Akbar (2018)., STRUCTURAL CHEMISTRY, -(-), -.

2. Substitution of His by Asp modify thermal stability of Firefly luciferase

(2018)., 15th CBC Conference on Biophysical Chemistry, Gorgan, Iran, 23-24 October, Gorgan, Iran.

3. Study of Red/ox Dynamics of Human Protein Disulfide Isomerase by Machine Learning and Network Analysis

Karamzadeh Razieh, Karimi-jafari Mohammad Hossein, Sharifi-zarchi Ali, Chitsaz Hamidreza, Hosseini Salekdeh Ghasem, Moosavi Movahhedi Ali Akbar (2018)., The 7th Conference on Bioinformatics, 3-5 January.

4. Intrinsically Disordered Proteins: The Problem of Sampling and The Curse of Dimensionality

Karimi-jafari Mohammad Hossein (2018)., The 7th Conference on Bioinformatics, 3-5 January.

1. Substitution of His by lysine and aspartate in the flexible fragment of Luciferase

Rahban Mahdiyeh, Salehi Najmeh, Karimi-jafari Mohammad Hossein, Saboury Ali Akbar, Hosseinkhani Saman, Moosavi Movahhedi Ali Akbar (2017)., 3rd IASBS Symposium in Biological Sciences, 2-4 November, Zanjan, Iran.

2. Hersintuzumab: A novel humanized anti-HER2 monoclonal antibody induces potent tumor growth inhibition

Amiri Mohammad Mehdi, Golsaz-shirazi Forough, Soltantoyeh Tahereh, Hosseini-ghatar Reza, Bahadori Tannaz, Khoshnoodi Jalal, Navabi Shadi Sadat, Farid Samira, Karimi-jafari Mohammad Hossein, محمود جدی تهرانی, شکری فاضل (2017)., INVESTIGATIONAL NEW DRUGS, -(-), 1-16.