Mohammad Hossein Karimi-jafari
Papers in International Journals
- Mohammad Hossein Karimi-jafari, Ali Maghari, and . "An improved ab initio potential energy surface for N2–N2." CHEMICAL PHYSICS 314, no. 1-3 (2005): 249-262.
- Mohammad Hossein Karimi-jafari, and Ali Maghari. "Thermophysical Properties of Nitrogen from a New Potential Energy Surface Using the Mason–Monchick Approximation." INTERNATIONAL JOURNAL OF THERMOPHYSICS 27, no. 5 (2006): 1449-1462.
- Mohammad Hossein Karimi-jafari, Mitra Ashouri, and Azadeh Yeganeh-jabri. "Coping with the anisotropy in the analytical representation of an ab initio potential energy surface for the Cl2 dimer." PHYSICAL CHEMISTRY CHEMICAL PHYSICS 11, no. 27 (2009): 5561.
- Mohammad Hossein Karimi-jafari, and Mitra Ashouri. "Quantifying the anisotropy of intermolecular potential energy surfaces: a critical assessment of available N2–N2 potentials." PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13, no. 20 (2011): 9887.
- Mohammad Hossein Karimi-jafari, Ali Maghari, and Azar Farjamnia. " Intermolecular Potential Energy Surface of the N 2 −CO Dimer: Ab Initio Investigation and Analytical Representation ." JOURNAL OF PHYSICAL CHEMISTRY A 115, no. 6 (2011): 1143-1151.
- Masood Arabieh, Mohammad Hossein Karimi-jafari, and Mohammad Ghannadi Maragheh. "Low-energy conformers of pamidronate and their intramolecular hydrogen bonds: a DFT and QTAIM study." JOURNAL OF MOLECULAR MODELING 19, no. 1 (2012): 427-438.
- Tayebeh Hosseinnejad, , and Mohammad Hossein Karimi-jafari. "Computational study on the structure and properties of ternary complexes of Ln3+ (Ln = La, Ce, Nd AND Sm) with 5,7-dichloroquinoline-8-ol and 4-vinyl pyridine." JOURNAL OF STRUCTURAL CHEMISTRY 54, no. 2 (2013): 283-291.
- Tayebeh Hosseinnejad, , , and Mohammad Hossein Karimi-jafari. "Adsorption behavior of Co and C2H2 on the graphite basal surface: A quantum chemistry study." JOURNAL OF STRUCTURAL CHEMISTRY 54, no. 5 (2013): 850-856.
- Masood Arabieh, Mohammad Hassan Khodabandeh, Mohammad Hossein Karimi-jafari, Carlos Platas-iglesias, and . "Complexation of Sm3+ and pamidronate: A DFT study." JOURNAL OF RARE EARTHS 33, no. 3 (2015): 310-319.
- Behnam Rasti, Mohammad Hossein Karimi-jafari, and Jahan Bakhsh Ghasemi. "Quantitative Characterization of the Interaction Space of the Mammalian Carbonic Anhydrase Isoforms I, II, VII, IX, XII, and XIV and their Inhibitors, Using the Proteochemometric Approach." Chemical Biology & Drug Design 88, no. 3 (2016): 341-353.
- Behnam Rasti, Mosen Namazi, Mohammad Hossein Karimi-jafari, and Jahan Bakhsh Ghasemi. "Proteochemometric Modeling of the Interaction Space of Carbonic Anhydrase and its Inhibitors: An Assessment of Structure-based and Sequence-based Descriptors." Molecular Informatics 00, no. 00 (2016): 00.
- Razieh Karamzadeh, Mohammad Hossein Karimi-jafari, Ali Sharifi-zarchi, Hamidreza Chitsaz, Ghasem Hosseini Salekdeh, and Ali Akbar Moosavi Movahhedi. "Machine Learning and Network Analysis of Molecular Dynamics Trajectories Reveal Two Chains of Red/Ox-specific Residue Interactions in Human Protein Disulfide Isomerase." Scientific Reports 7, no. 1 (2017): 3666.
- Maryam Nourisefat, Najmeh Salehi, Saeed Yousefinejad, Farhad Panahi, Massoud Amanlou, , , Mohammad Hossein Karimi-jafari, Nader Sheibani, and Ali Akbar Moosavi Movahhedi. "Biological evaluation of 9-(1H-Indol-3-yl) xanthen-4-(9H)-ones derivatives as noncompetitive α-glucosidase inhibitors: kinetics and molecular mechanisms." STRUCTURAL CHEMISTRY -, no. - (2018): -.
- Najmeh Salehi, Mehriar Amininasab, Rohouhllah Firouzi, and Mohammad Hossein Karimi-jafari. "Efficient construction of a diverse conformational library for amyloid-β as an intrinsically disordered protein." JOURNAL OF MOLECULAR GRAPHICS & MODELLING -, no. - (2019): -.
- Saeideh Khodaee, Yazdan Asgari, mehdi totonchi, and Mohammad Hossein Karimi-jafari. "iMM1865: A New Reconstruction of Mouse Genome-Scale Metabolic Model." Scientific Reports 10, no. 1 (2020): .
- Milad Rayka, Mohammad Hossein Karimi-jafari, and Rohouhllah Firouzi. "ET‐score: Improving Protein‐ligand Binding Affinity Prediction Based on Distance‐weighted Interatomic Contact Features Using Extremely Randomized Trees Algorithm." Molecular Informatics 40, no. 1 (2021): .
- Behnaz Moghadam, Mitra Ashoori, Hossein Roohi, and Mohammad Hossein Karimi-jafari. "Computational evidence of new putative allosteric sites in the acetylcholinesterase receptor." JOURNAL OF MOLECULAR GRAPHICS & MODELLING 107, no. 1 (2021): 107981.
- Najmeh Salehi, Mohammad Hossein Karimi-jafari, , and . "Integration and gene co-expression network analysis of scRNA-seq transcriptomes reveal heterogeneity and key functional genes in human spermatogenesis." Scientific Reports 11, no. 1 (2021): .
- Sara Mohammadi, Zahra Narimani, Mitra Ashoori, Roholla Firozi, and Mohammad Hossein Karimi-jafari. "Ensemble learning from ensemble docking: revisiting the optimum ensemble size problem." Scientific Reports 12, no. 1 (2022): .
- , Alexandra Lazar, Mohammad Hossein Karimi-jafari, Roholla Firozi, and Werner Nau. "Electrostatically induced pKa shifts in oligopeptides: the upshot of neighboring side chains." AMINO ACIDS 54, no. 2 (2022): 277-287.
- Roholla Firozi, Mitra Ashoori, and Mohammad Hossein Karimi-jafari. "Structural insights into the substrate‐binding site of main protease for the structure‐based COVID‐19 drug discovery." PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS 1, no. 1 (2022): .
- Ali Etemadi, Hamid Reza Moradi, Farideh Mohammadian, Mohammad Hossein Karimi-jafari, , Yazdan Asgari, and Mohammadali Mazloomi. "Binder design for targeting SARS-CoV-2 spike protein: An in silico perspective." Gene Reports 26, no. 1 (2022): 101452.
- Fariba Roshanzamir, Jonathan Robinson, Daniel Cook, Mohammad Hossein Karimi-jafari, and Jens Nielsen. "Metastatic triple negative breast cancer adapts its metabolism to destination tissues while retaining key metabolic signatures." Proceedings of the National Academy of Sciences of the United States of America 119, no. 35 (2022): .
- Ali Etemadi, Mohammad Hossein Karimi-jafari, Babak negahdari, Yazdan Asgari, Mohammad Reza Khorramizadeh, Farideh Mohammadian, and Mohammadali Mazloomi. "Design of a dual-function agent by fusing a designed anti-VEGF-A binder and CPG-2 enzyme." JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS 1, no. 1 (2023): 1-8.
- Roholla Firozi, Shahin Sowlati-Hashjin, Cecilia Chavez-Garcia, Mitra Ashoori, Mohammad Hossein Karimi-jafari, and Mikko Karttunen. "Identification of Catechins’ Binding Sites in Monomeric Aβ42 through Ensemble Docking and MD Simulations." INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 24, no. 9 (2023): 8161.
- Zahra Moosavi Movahedi, Najmeh Salehi, Mehran Habibi Rezaei, Farzad Qassemi, and Mohammad Hossein Karimi-jafari. "Intermediate-aided allostery mechanism for α-glucosidase by Xanthene-11v as an inhibitor using residue interaction network analysis." JOURNAL OF MOLECULAR GRAPHICS & MODELLING 122, no. 1 (2023): 108495.
Papers in National Journals
- Atefeh Poursoleiman, Mohammad Hossein Karimi-jafari, Zahara Zolmajd-Haghighi, Mojtaba Bagheri, , , Atieh Ghasemi, Y.Y Stroylova, , and Ali Akbar Saboury. "Polymyxins interaction to the human serum albumin: A thermodynamic and computational study." Spectrochimica Acta - Part A: Molecular Spectroscopy 217, no. 217 (2019): .
Presented Papers in International Conferences
Presented Papers in National Conferences
- Ali Maghari, and Mohammad Hossein Karimi-jafari. "An analytical potential energy surface for BeH2-He dimer from ab initio calculations." 14th Iranian Physical Chemistry Conference, Kish Island.
- Zahra Alimohammadi Keyvani, , and Mohammad Hossein Karimi-jafari. "CHARMM general force field parametrization for Curcumin." 15th iranian physical chemistry conference, Tehran.
- Masood Arabieh, , , and Mohammad Hossein Karimi-jafari. "a theoretical study on the structural features of bisphosphonate pharmaceuticals." 15th iranian physical chemistry conference, Tehran.
- Mohammad Reza Toosi, Hosein Fallah, Mohammad Hossein Karimi-jafari, and Reza Cheraghali. "simulation of N2-CO mixture usin g an ab initio potential and study of thermodiffusion phemomena." 15th iranian physical chemistry conference, Tehran.
- Seyed Mahdi Arashzar, Ali Maghari, Mohammad Hossein Karimi-jafari, and Zahra Rezaei. "an analytical potential energy surface for P2-He dimer from ab initio calculations." 15th iranian physical chemistry conference, Tehran.
- Mitra Ashouri, Ali Maghari, and Mohammad Hossein Karimi-jafari. "an accurate CHARMM compatible force field for bisphosphonate pharmaceuticals." 15th iranian physical chemistry conference, Tehran.
- Anahita Khammari, Mohammad Hossein Karimi-jafari, and Ali Akbar Saboury. "Finding the best binding modes of protein-ligand interaction by using the docking on the ensemble structures of human serum albumin." the 5th iranian conference on bioinformatics,.
- Zahra Ghasemi, Mohammad Hossein Karimi-jafari, and Ali Akbar Saboury. "Computational investigation of the interaction between mushroom tyrosinase and it’s refrence inhibitor: tropolon." the 5th iranian conference on bioinformatics,.
- Razieh Karamzadeh, Mohammad Hossein Karimi-jafari, Ali Sharifi-zarchi, Hamidreza Chitsaz, Ghasem Hosseini Salekdeh, and Ali Akbar Moosavi Movahhedi. "Study of Red/ox Dynamics of Human Protein Disulfide Isomerase by Machine Learning and Network Analysis." The 7th Conference on Bioinformatics,.
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چنانچه بخشی از اطلاعات فردی جنابعالی در CV انگلیسی نمایش داده نمیشود به دلیل نبودن معادل لاتین آن میباشد و جهت تکمیل آن میتوانید به کارگزینی مراجعه بفرمایید
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چنانچه برخی از فعالیتهای شما در CV انگلیسی نمایش داده نمیشود، ممکن است به دلیل نبودن معادل لاتین آن
باشد و
جهت
تکمیل ان می توانید به لیست فعالیتهای مربوطه مراجعه و فیلدهای خالی را پر کنید