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List of Computational Chemistry Related Journals

posted Nov 7, 2011, 4:51 PM by Danny Xu   [ updated Nov 27, 2018, 8:34 AM ]
Peer-review time:

        J.Phys.Chem. B
        J. Chem. Theory and Computation
        Chem. Phys. Chem.
        Faraday Discussions
        Physics Today
        J. Chem. Inform. Model.
        Phys. Rev. Lett.
        Phys.Rev. E

        Nature Str.Biol.
        PLoS journals, esp. PLoS Comp. Biol.
        Protein Science
        Proteins: Struct., Funct., & Bioinfo.
        Ann.Rev.Biophys. & ...
        BMC Biophysics
        Protein Eng.
        Quart. Rev. Biophys.
        Adv. Protein Chem.
        Trends in Biochem.Sci.
        Biophysical Chemistry
        Curr. Opin. Chem. Biol.
        Critical Revs.Biochem.Mol.Biol.
        Eur. Biophys. J.
        EMBO Journal
        EMBO Reports
        Interface - Journal of the Royal Society
        Physical Biology
        Progress in Biophysics and Molecular Biology
        Systems Biology
        Comp. Biol. & Chem.
        Chem. & Biol.
        Methods in Enzymol.
        Nucleic Acid Research
        Angewandte Chemie
        Nature Reviews...
        Proc.Natl.Acad.Sci. USA
        Sci. Amer.
        ACS Chemical Biology
        HFSP Journal
        Chemical Biology and Drug Design
        Computational Science and Discovery
        Nature Chemical Biology
        Molec. Cell
        Trends Pharmacol.Sci.
        Trends Biochem. Sci.
        Trends Cell Biol.
        Comp. Sci. Eng.
        Cold Spring Harbor Symp.Quant.Biol.
        J. Struct. Biol.
        Sci. & Med.
        J. Mol. Graph. Model
        Multiscale Modeling & Simulation (SIAM)

Recent additions

ACS Medicinal Chemistry
Nano Letters
Journal of Biomolecular Structure and Dynamics
2010 Impact Factor: 4.986*

The Biological Molecules and Networks section of The Journal of Chemical Physics is the dedicated home for impactful results in the chemical physics of biological molecules and systems. The articles below are some of the most downloaded articles in Biological Molecules and Networks so far in 2016. Enjoy them while they’re free to download for a limited time!

Biochemistry and Biophysics Reports

The journal publishes original research in all aspects of Biochemistry, Biophysics and related areas like Molecular and Cell Biology.

Other highlights since the 2015 launch include:

$750 APC by 12/31/2016
For review papers:

AIMS Molecular Science


Jerome Delhommelle,
US Editor for Molecular Simulation,
Department of Chemistry,
University of North Dakota

Computational Biology and Chemistry IF 1.3 (3 mo+)

Antiviral Chemistry and Chemotherapy IF 2.89

Instead of being supported by subscriptions, the journal will be supported by an open access article processing charge (APC) of each article accepted after peer review. The APC has been set at an introductory level of $750, discounted from the full rate APC of $1500 for a limited time.

*For manuscripts accepted after peer review for Volume 24 with original submission dates prior to 15th August there will be no change to original subscription workflow of the journal.  Papers will be published online and in print this year under the standard contributor licence form at no charge.

*Manuscripts accepted for 2017 issue publication after peer review with original submission dates prior to 15th August will be published open access under a Creative Commons license, with no APC charged.

*Articles accepted for publication after peer review with original submission dates on or after 15th August will be charged the APC stated above

         Drug Design and Discovery

·         Pharmaceutical Biotechnology

·         Biopharmaceutics, Formulation, and Drug Delivery

·         Metabolism and Transport

·         Pharmacokinetics, Pharmacodynamics, and Pharmacometrics

·         Translational Research

·         Clinical Evaluations and Therapeutic Outcomes 

·         Regulatory Science

The AAPS Journal publishes original research articles, reviews and mini-reviews, white papers, commentaries, meeting reports, and brief/technical reports, among others. Authors and reviewers of the Journal work in major academic institutions, industry, and governmental agencies worldwide. 

The AAPS Journal, an official electronic journal of our association, carries a 2016 Impact Factor of 3.423 (5-year Impact Factor = 4.274), as published by Clarivate Analytics. All AAPS members can access The AAPS Journal free of charge. Instructions for authors and for submission are available via There are no fees associated with submission or publication of manuscripts, including color figures. Our goal is to return the first editorial decision within one month of submission. Please note that The AAPS Journal has transitioned into a "continuous publication" model, which allows immediate publication with complete citation as soon as the galley proof process is completed. A graphical abstract is now an optional feature as well. We welcome your contribution.

Ho-Leung Fung

Nature Sci Reports, Science Advances, ACS Omega, PlosOne, RSC Advances, AAPSJ, Biochemistry and Biophysics Reports

Molecular Informatics: IF 2.338
Molecular Simulation
ACS Central Science, first fully open access journal by ACS
 Nucleic Acids Res.
Bioinformatics (database/dataset survey)

Curr Mol Med. IF:2.9  (on fundamental molecular mechanisms of disease pathogenesis, the development of molecular-diagnosis and/or novel approaches to rational treatment)

J Chem Info Modeling: ACS

Molecular BioSystems  IF:2.8 (RSC)

current pharmaceutical design

ACS Biochemistry (also takes computational papers, e.g. Pegylation MD paper)


JMC Mini Perspective

Nucleic Acids Research

Cell Press: Chemistry & Biology

Chemistry Central Journal (Open Access)  Impact factor: 2.55

Elsevier: Drug Discovery Today: Technologies

Journal of Molecular Structure & Dynamics (IF: 2.3)

PLOS Computational Biology

Expert Opinion Drug Discovery

Chemical Biology & Drug Design  (IF 2.3) Similar to JMC, but accept computational/web server papers like this



BMC series
Dover press

Journal of Receptor, Ligand and Channel Research

Advances and Applications in Bioinformatics and Chemistry

Drug Design, Development and Therapy

Research and Reports in Biology


ACS Chemical Neuroscience IF 4.3

MedChemComm/RSC IF 2.3

JMB (Journal of Molecular Biology) IF 4.5 (Editorial decisions following peer-review are typically made within 30 days after submission and accepted articles are published online within 3-7 days)

Journal of Proteomics (IF 3.8) proteomics, biomarker discovery, protein analytics, plant proteomics, microbial and animal proteomics, human studies, tissue imaging by mass spectrometry, non-conventional and non-model organism proteomics, and protein bioinformatics.

International Journal of Molecular Sciences (IF 3.26)

Molecular Systems Design & Engineering (RSC) Review articles, minireviews, Communication, Paper

Pre-print services

Toxicon (IF 2, 2-6 mo)

Chemical Biology & Drug Design (IF 2.36, 2-8 mo)

MOJ Proteom Bioinform ($989)

Journal of Proteome Science & Computational Biology

Journal of Molecular Engineering & Systems Biology

JPET (IF:3.9, 1-month review turnaround, $99/page APC)

Therapeutic Advances in Psychopharmacology

The new special collection on Novel Strategies for the Treatment of Depression is now open for submissions! Guest edited by Professor Anthony Cleare of King’s College London, the aim of this collection is to provide a balanced update on the development of novel therapies for depression.



  (Vol. 12 - in progress)


Drug Discovery (ISSN (print) 2278–540X; EISSN (online) 2278–5396) is an international journal covers research in Drug Design, drug discovery, drug development and its technologies. The journal provides an academic platform for drug-discovery professionals and researchers those working in the fields of

·         Biological Chemistry,

·         Bio-markers

·         Biomedical engineering,

·         Biotechnology,

·         Cell Biology

·         Chemical Biology,

·         Chemistry,

·         Clinical trials,

·         Drug commercial and regulatory issues

·         Drug management,

·         Drug patents,

·         Drug-Informatics,

·         FDA approvals,

·         Genetics,

·         Genomics,

·         Medicine,

·         Microbiology

·         Nanotechnology,

·         Pharmaceutical R & D,

·         Pharmacognosy,

·         Pharmacology,

·         Phytochemistry,

·         Proteomics

·         Receptors

·         Structural & Molecular Biology

·         Therapeutic targets

It serves as a forum for exchange of views and ideas among working scientists and theorists who seeks to promote and disseminate the knowledge by publishing original research findings, review articles, analysis, perspectives, opinion and communications in the field of Drug Discovery. Under Evaluation in ESCI - Clarivate Analytics - Web of Science.


Journal of Biomedical Semantics (IF 1.825)

Journal of International Medical Research (IF 1.4) 
Publish in a Science Citation Index Expanded (SCIE) journal with a 1.023 Impact Factor. The journal publishes a vast range of medical, pre-clinical and clinical research, and reviews. JIMR is also open access

Toxicology Research and Application

Informatics in Medicine Unlocked IF 1.67: ncluding (but not limited to) papers focusing on imaging, pathology, teledermatology, public health, ophthalmological, nursing and translational medicine informatics.

EBioMedicine (APC: $3000) is a new open access journal from Elsevier, supported by Cell Press and The Lancet. It covers the entire spectrum of translational and clinical research.

24 Subject Collections
Our 24 Subject Collections range from aging, cancer, immunology and infectious disease to metabolism, microbiome, and neurology.

Why publish in EBioMedicine?

  • Supported by Cell Press and The Lancet
  • Only 48 hours from acceptance to publication
  • Get personal feedback from our expert in-house Editors
EBiomedicine (IF 1.96) the scope of EBioMedicine will cover the entire breadth of translational and clinical research within all disciplines of life and health sciences, ranging from basic science to clinical and public/global health science.

International Journal of Medical Informatics (IF 2.4): Computer-aided medical decision support systems using heuristic, algorithmic and/or statistical methods as exemplified in decision theory, protocol development, artificial intelligence, etc.

Clinical Pharmacology & Therapeutics (IF 7)


Drug Safety (IF 3.4)

Journal of Biomedical Informatics (Elsevier, IF 2.4)

Chemical Research in Toxicology (ACS)

Journal of Medical Toxicology (Springer)

Toxicology Research (RSC, IF: 2.6
official journal of The British Toxicology Society and The Chinese Society of Toxicolog)

Annals of Pharmacotherapy Impact factor 2.059

SAJ Pharmacy and Pharmacology (SAJPP).

SAJPP (ISSN: 2375-2262) is an open access peer reviewed journal, which publishes research works on new technologies, and developments in the field of Pharmacy and Pharmacology. It is our great privilege to invite you to be a part in the expansion of our journal by contributing your work to us. We would be honored to have your valuable work to be published in our journal.

SAJPP maintains its established and well-respected core strengths in areas of pharmaceutics and drug delivery, experimental and clinical pharmacology, bio pharmaceutics and drug disposition, and drugs from natural sources.

Manuscripts submitted are peer reviewed by experienced Editorial Board members. SAJPP publishes the accepted manuscripts in various formats, like Full text, PDF and Digital and the article will be placed online within 24 hours.

BMC Medical Informatics and Decision Making

Drug, Healthcare and Patient Safety

Clinical Pharmacology: Advances and Applications

Therapeutics and Clinical Risk Management

Current Opinion in Toxicology


We would like inviting you to contribute a manuscript for possible publication on the focused issue on "Bioinformatics" in International Journal of Clinical Biostatistics and Biometrics (ISSN: 2469-5831).

 Topics of interest include: Computational Biology, Computer Science and Information Technology, Chemical Informatics, Proteomics & Bioinformatics, Phylogenetics & Evolutionary Biology, Health & Medical Informatics, etc.

 The journal indexed in various scientific and permanent databases follows ICMJE and COPE guidelines, publishing each and every article according to the standard Crossmark policy. Additionally, every article accepted in our journal will be published in four formats: PDF, full-text HTML, XML and ePub, creating reader-friendly web presentation.

 If possible, we would appreciate receiving your submission by on or before August 31, 2018.

 Kindly submit your valuable work at online submission system or send as an e-mail attachment to editorial office at this mail-id.


Biomedical Informatics Insights (no IF)
Biomedical Informatics Insights is an international, peer reviewed, open access journal that covers all aspects of medical informatics and decision-making supported by medical informatics. The journal seeks to promote understanding on how text, genetics and clinical care integrate into stable but dynamic systems. The journal also seeks to explore information management in healthcare, information systems and technology, and discussions on medical decision making.

• Indexing in ESCI and PubMed Central
• Rigorous peer review of your research
• Multidisciplinary audience
• Open access format, driving high visibility and global exposure
• Prompt online publication

Journal of International Medical Research is a peer-reviewed open access journal which focuses on original medical, pre-clinical and clinical research, reviews, preliminary and pilot studies

Journal of Pharmaceutical Analysis (JPA), ISSN 2095-1779, is a peer-reviewed and open-access international journal published bimonthly by Xi'an JIaotong University, China. It seeks to publish research articles, reviews and short communications related to all aspects of pharmaceutical analysis. We are inviting you to contirbute any of research article, review and short communication to Journal of Pharmaceutical Analysis.
Current areas of interest include, but are not limited to:
• Quality control and methods of biotech drugs
• Action mechanism and their metabolism in body
• Quantitative and qualitative analysis in the drug screening process
• Analysis of pharmacological activity
• Analysis of drug toxicity
• Analytical chemistry techniques and methods
• Rapid screening methods
• New analytical techniques and methods
Please forward this invitation to anyone else who you think may be interested in the above research topics, their contribution adds values for our journal.

Therapeutic Advances in Psychopharmacology delivers the highest quality peer-reviewed articles, reviews, and scholarly comment on pioneering efforts and innovative studies across all areas of psychopharmacology. The journal has a strong clinical and pharmacological focus and is aimed at clinicians and researchers in psychopharmacology, providing a forum in print and online for publishing the highest quality articles in this area. This journal is a member of the Committee on Publication Ethics (COPE).

Medical Hypotheses (IF: 1.12)
The journal therefore constitutes a bridge between cutting-edge theory and the mainstream of medical and scientific communication, which ideas must eventually enter if they are to be critiqued and tested against observations.

Preprint services:

accepted preprints on Advance receive a digital object identifier (DOI), allowing you to ensure credit for your research by making it available within your scholarly community in a clearly identifiable way—especially important for time-sensitive projects. Learn more with our FAQ.

once accepted, your preprint will typically be available online within 48-72 hours, allowing you to start communicating about your work—particularly important for time-sensitive projects. See the preprints already accepted and freely available online. 

a variety of preprint types are welcomed and submitting is quick, requiring a simple registration process that takes just a few minutes from start to finish. Read the full Submission Guidelines.

includes a monitored commenting feature, allowing you to seek and receive constructive feedback from your peers. You can also share your preprint via social media and email. Read our About page.

Danny Xu,
Jun 6, 2017, 5:23 PM
Danny Xu,
Jun 14, 2018, 2:47 PM