Academic Journal
Q3Journal of Computational Biophysics and Chemistry
About Journal of Computational Biophysics and Chemistry
Journal of Computational Biophysics and Chemistry is a scholarly journal published by World Scientific. SCImago 2025 lists it in Q3, with an SJR of 0.275 and H-index of 35.
Coverage: 2021-2026. Research categories: Computational Theory and Mathematics (Q3); Computer Science Applications (Q3); Physical and Theoretical Chemistry (Q3).
Source-backed journal facts
Topics in published research
Computational Drug Discovery Methods; Synthesis and biological activity; Protein Structure and Dynamics; Nonlinear Optical Materials Research; Synthesis and Characterization of Heterocyclic Compounds; Cholinesterase and Neurodegenerative Diseases.
OpenAlex classifies topics from published works. These topics are not the publisher’s official aims and scope.
Source: OpenAlex source record. Retrieved 2026-10-03. Source record updated 2026-10-02. OpenAlex metrics are different from SCImago metrics and the Clarivate Journal Impact Factor.
Journal Metrics
Quartile, SJR and the listed SCImago H-index use the 2025 imported SCImago dataset. A quartile may vary by subject category. Values without a source or reporting year are unverified historical entries. Verify the current Journal Impact Factor with Clarivate or the publisher before using it.
Aims & Scope
The publisher’s official aims and scope have not yet been verified for this profile. Use the journal website to check subject fit and accepted article types before submitting.
Recent Research Articles
Latest publications matched automatically by ISSN.
Comprehensive Theoretical and Experimental Investigation of 5M2OT4CA: Synthesis, Crystal Growth, DFT Spectroscopic Characterization, Molecular Docking and Pharmaceutical Potential Assessment
Athisaya R. Suvitha, Nookala Yuvaraj Maharani, Gangasandra N. Kumaraswamy, Hanan Alzahrani et al.
2026-09-30 · DOI: 10.1142/s2737416526501279Computational Design and Virtual Screening of Enumeration-Generated Benzothiazinone Derivatives as Cholinesterase Inhibitors Using Pharmacophore Modeling, Molecular Dynamics, DFT and ML-Based Predictive Modeling Analysis
T. Abhijith, Jainey P. James, T. J. Sindhu, C. Zakiya Fathima et al.
2026-09-26 · DOI: 10.1142/s2737416526501243Fragment-Based AI Optimization of Tranexamic Acid Derivatives Targeting the Kringle 1 Lysine-Binding Site of Human Plasminogen: An Integrated Computational Study for Postpartum Hemorrhage
Sinan Karagecili, Deniz Inan, Nouman Ali
2026-09-25 · DOI: 10.1142/s2737416526501267Thermodynamic Evaluation of Optimized Heparin-DNA Origami Nanostructures Targeting the SARS-CoV-2 Spike RBD Using MM/PBSA–IE
Sadegh Dastorani, Mahmoud Shariati, Reza Hasanzadeh Ghasemi
2026-09-19 · DOI: 10.1142/s2737416526501218Exploring Anti-Breast Cancer Potential and Mechanism of Novel Xanthohumol-Metformin Conjugate by Integrating Network Pharmacology, Molecular Docking and Simulation Approaches
Vancha Harish, Sharfuddin Mohd, Goparaju Kavya, B.C. Revansiddappa et al.
2026-09-18 · DOI: 10.1142/s2737416526501255Computational Screening of Columbianadin-Derived Furanocoumarins as Multitarget Neurotherapeutics Against MAO-B, AChE, and BACE1 for Alzheimer’s Disease
Mohammad Yasir, Jeevan Patra, Iftikhar Aslam Tayubi
2026-09-12 · DOI: 10.1142/s273741652650119xPan-Cancer Multi-Omics and Structure-Guided Drug Discovery Identify TUBG1 as a Clinically and Immunologically Relevant Target
Muhammad Alaa Eldeen, Eman Fayad, Soha Y. Alkhaldi, Ibrahim Jafri et al.
2026-09-07 · DOI: 10.1142/s2737416526501073Organic Molecules for Photothermal Therapy in the Second Near-Infrared Window: Theoretical Exploration of Selenium Atomic Incorporation and Ethynyl-bridged Dual-Acceptor Strategy
Xin Huang, Haoyi Sun, Yuan Han, Yuyang Zuo et al.
2026-09-04 · DOI: 10.1142/s2737416526501231Mechanistic Evaluation of Abutilon indicum Extract and Syringaldehyde in Ovalbumin-Induced Airway Inflammation Using Computational and Experimental Approaches
B. C. Mamatha, S. Vijaya Kumar, Pavithra Pradeep Prabhu, Akhil Nair et al.
2026-09-04 · DOI: 10.1142/s273741652650122xModeling Structure-Activity Relationships with Machine Learning to Identify DPP4 Inhibitors as Potential Therapeutics for Type 2 Diabetes
Iqra Anwar, Tahir Ali Chohan, Drakhshaan, Rameez Hassan Pirzada et al.
2026-09-02 · DOI: 10.1142/s2737416526501048Synthesis, In Vitro , and In Silico Analysis of Repurposed Substituted 2,7-Dimethylimidazo[1,2-a]pyridine-3-carboxamide-Based α-Amylase Inhibitors via Docking, MM/GBSA, Dynamics Simulation Techniques and Pharmacokinetic Evaluation
Suraj N. Mali, Prachi Singh, Somdatta Chaudhari, Akash Pandey et al.
2026-09-02 · DOI: 10.1142/s2737416526501188Integrated In Silico and In Vitro Discovery of a VEGFR-2-Targeted Anticancer Benzanilide Lead
Ahmed M. Metwaly, Ibrahim H. Eissa, Walid E. Elgammal, Mohamed Sayed Ramadan et al.
2026-08-31 · DOI: 10.1142/s2737416526501140Identification, Design and Computational Insights of Hybrid Thiadiazole-Linked Fused Thiazole-Isoxazole as Potent Dual Inhibitor of AChE/BChE Alzheimer’s Disease
Yousaf Khan, Hina Sarfraz, Azmatullah Khan, Syeda Farwa Naqvi et al.
2026-08-31 · DOI: 10.1142/s2737416526501164Chemical Space Analysis of Gamma-Secretase Inhibitors: A Cheminformatic Characterization
Ngceboyakwethu Zinyama, Jonathan Bvunzawabaya, Upenyu Guyo, Fanuel Lampiao et al.
2026-08-27 · DOI: 10.1142/s2737416526501139SirtSAGE: A Structural-Gated Graph Attention Framework for the Unified Classification and Evolutionary Mapping of Sirtuin Proteins
Dinh-Quy Nguyen, Viet-Thanh Nguyen, Muhammad Hussain, Quang-Thai Ho et al.
2026-08-27 · DOI: 10.1142/s2737416527400011Molecular Dynamics and Mechanistic Insights into the Ligand-Induced Conformational Stabilization of STAT3 and TNF-α
Tao Li, Yuan Chen, Yingqian Zhou, Yanhui Li et al.
2026-08-26 · DOI: 10.1142/s2737416526501127Integrated In Silico Profiling of Altissimacoumarin H in Prostate Cancer-Related Molecular Networks
Saleh M. Bufarwa, Mustapha Belaidi
2026-08-21 · DOI: 10.1142/s2737416526501206Leveraging Network Pharmacology and Molecular Docking to Discover Novel Multitarget Antidepressants
Dhananjay Joshi, Urmila Aswar, Ankit Ganeshpurkar, Kundlik Rathod et al.
2026-08-21 · DOI: 10.1142/s2737416526300026Network Pharmacology, Molecular Docking, Molecular Dynamics Simulation and ADMET Analysis Predict the Molecular Mechanisms of Gomisin N and Schisandrin B as Multi-Target Agents in Primary Sclerosing Cholangitis
Nedjwa Mansouri, Ouafa Benserradj, Ouided Benslama, Sabrina Lekmine et al.
2026-08-20 · DOI: 10.1142/s2737416526501115Synthesis, SC-XRD, Key Electronic Properties of Nitro-Containing Schiff Base Chromophores: An Experimental and Computational Study
Muhammad Nawaz Tahir, Muhammad Ashfaq, Khurram Shahzad Munawar, Sohaila Andleeb et al.
2026-08-18 · DOI: 10.1142/s2737416526501103Reviews
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October 4, 2026 at 9:32 pm
October 2, 2026