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Review Cycle Records

JOURNAL OF MOLECULAR MODELING

Springer SCIE Non-OA
2026 Emerging Zone 32025 CAS Zone 42025 JCR Q3
86.5Average days
83Median days
20Fastest days
204Longest days
3512025 publications

Paper Review Records

All Paper Review Records

20 valid samples · Newest publication first
Review days = acceptance date − received date. PDF, DOI, and publisher-page sources are retained.

44 days

Membrane interactions and pore stability of aurein 1.2 and LLAA in single- and multi-peptide systems revealed by coarse-grained molecular dynamics simulations

AuthorsRoshanak Ansarihaghi

Affiliations1. Department of Biological Sciences, Department of Biophysics, Institute for Advanced Studies in Basic Sciences, Zanjan, Iran; 2. Department of Biophysics, Institute of Biochemistry and Biophysics, University of Tehran, Tehran, Iran

Source PDF DOI Publisher page
70 days

Rational design of ruthenium-based organic sensitizers for high-performance dye-sensitized solar cells: a comprehensive DFT and TD-DFT investigation

AuthorsFaeq A. AL-Temimei

Affiliations1. Physics Department, Faculty of Science, Kufa University, Najaf, Iraq

Source PDF DOI Publisher page
79 days

First-principles study on the structure, hydrogen storage, and physical properties of perovskite hydrides X 2 YH 6 (X = Mg, Ca, Sr, Ba) for hydrogen storage applications

AuthorsHao-Yi Xu; Hai-Jun Hou; Hong-Li Guo; Shun-Ru Zhang

Affiliations1. School of Materials Engineering, Yancheng Institute of Technology, Yancheng, China; 2. College of Electronic and Information Engineering, Yangtze Normal University, Chongqing, China; 3. Department of Optoelectronics, Huaihua University, Huaihua, China

Source PDF DOI Publisher page
20 days

Rational hybrid design and computational characterization of PA-Hyb1: a novel peptide inhibitor targeting the MexB efflux pump in Pseudomonas aeruginosa

AuthorsSekena H. Abdel-Aziem

Affiliations1. Cell Biology Department, Biotechnology Research Institute, National Research Centre, Giza, Egypt

Source PDF DOI Publisher page
38 days

Effect of defects on fracture and mechanical properties in Cu/Zr nanolayers

AuthorsHong-Anh Nguyen; Hoang-Giang Nguyen; Chung-Hao Hsu; Te-Hua Fang

Affiliations1. Department of Mechanical Engineering, National Kaohsiung University of Science and Technology, Kaohsiung, Taiwan; 2. Faculty of Technology, Dong Nai Technology University, Dong Nai, Vietnam; 3. Department of Marine Engineering, National Kaohsiung University of Science and Technology, Kaohsiung, Taiwan; 4. Faculty of Engineering, Kien Giang University, Kien Giang, Vietnam; 5. Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, Kaohsiung City, Taiwan

Source PDF DOI Publisher page
56 days

Insights into the structural dynamics and free energy landscapes of Danio rerio RAB1A and RAB1B: a comparative molecular dynamics simulation approach

AuthorsBengü Sema Mutafoğlu; Özkan Danış; Özal Mutlu

Affiliations1. Chemistry Department, Faculty of Science, Marmara University, Istanbul, Türkiye; 2. Biology Department, Faculty of Science, Marmara University, Istanbul, Türkiye

Source PDF DOI Publisher page
98 days

Unveiling the effects of tautomerism, pH, and solvation on the UV/Vis spectrum of sulfapyridine: a joint theoretical and experimental study

AuthorsJosé L. F. Santos; Lorena C. P. Sales; Fernanda L. Souza; Gabriel L. C. de Souza; Adrian E. Roitberg; Roberto L. A. Haiduke

Affiliations1. Departamento de Química e Física Molecular, Instituto de Química de São Carlos, Universidade de São Paulo, São Carlos, Brazil; 2. Department of Chemistry, University of Florida, Gainesville, USA; 3. Centro de Ciências da Natureza, Universidade Federal de São Carlos, Buri, Brazil

Source PDF DOI Publisher page
110 days

Molecular dynamics simulation of perfluorohexanone-based synergistic gas mixtures and mechanistic prediction of hydrogen fluoride formation pathways

AuthorsYinjiao Su; Bin Zheng; Dezheng Wang; Yinghui Li; Fei Wang

Affiliations1. Department of Fire Protection Engineering, China Fire and Rescue Institute, Beijing, PR China; 2. Inner Mongolia Research Institute, China University of Mining and Technology (Beijing), Ordos, PR China; 3. School of Emergency Management and Safety Engineering, China University of Mining and Technology (Beijing), Beijing, PR China; 4. Zhejiang Research Institute of Chemical Industry Co. Ltd., Hangzhou, PR China

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89 days

Revisiting chemical kinetics for H + CH 4 → H 2 + CH 3 using variational transition state theory: comparison with global dynamics calculations

AuthorsEdson F. V. de Carvalho; Marcelo A. P. Pontes; Luiz F. A. Ferrão; Francisco B. C. Machado; Orlando Roberto-Neto

Affiliations1. Coordenação Do Curso de Licenciatura Em Física, Universidade Federal Do Maranhão, São Luís, Brazil; 2. Departamento de Engenharia, Faculdade Anhanguera de Jacareí, Jacareí, Brazil; 3. Departamento de Química, Instituto Tecnológico da Aeronáutica, São José Dos Campos, Brazil; 4. Laboratório de Computação Científica Avançada e Modelamento (Lab – CCAM), Instituto Tecnológico da Aeronáutica, São José Dos Campos, Brazil; 5. Divisão de Aerotermodinâmica E Hipersônica, Instituto de Estudos Avançados, São José Dos Campos, Brazil

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140 days

Molecular modeling design of antitrypanosomal pyrazolone derivatives targeting Chagas disease: QSAR, docking, molecular dynamics and free energy calculations

AuthorsKaren Karla F. Sousa; Ana Beatriz S. Barbosa; Fábio José B. Cardoso; José Rogério A. Silva; Fábio A. Molfetta

Affiliations1. Laboratório de Modelagem Molecular, Instituto de Ciências Exatas e Naturais, Universidade Federal do Pará, Belém, Brazil; 2. Laboratory of Computer Modeling of Molecular Biosystems (CompMBio), Federal University of Pará, Belém, Brazil; 3. Catalysis and Peptide Research Unit, University of KwaZulu-Natal, Durban, South Africa

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Machine Learning and Life-Cycle Assessment for Predicting and Optimizing Carbon Emissions in Urban Wastewater Treatment

SampleLatest 5 valid paper samples from 2026

Average review96.4 days

Median77 days

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