Physical journals: open calls for papers

Emerging Investigators should be at an early stage of their independent career (this should typically be within 12 years of attaining their doctorate or equivalent degree but appropriate consideration is given to those who have taken a career break, work in systems where their time period to independence may vary or who followed an alternative study path).

Manuscripts should be submitted via the Royal Society of Chemistry’s online submission service and the Editorial Office informed by email. Please add a “note to the editor” in the submission form when you submit your manuscript to say that this is a submission for the themed collection. The Editorial Office reserves the right to check suitability of submissions in relation to the scope of the collection and inclusion of accepted articles in the collection is not guaranteed. All manuscripts will be subject to the journal's usual peer review process. Accepted manuscripts will be added to the online collection as soon as they are online and they will be published in a regular issue of MSDE.

MSDE is a Transformative Journal and Plan S compliant

Balanced numbers of contributions from experimental and computational groups are expected and welcomed. This collection will include results from participants in the MD-GAS COST Action CA18212 (www.mdgas.eu) in particular.

This call for papers is open for the following article types:

• Communications
• Full papers
• Reviews and Perspectives

If you would like to contribute to this themed collection, you can submit your article directly through the journal’s online submission service. Please answer the themed collection question in the submission form when uploading your files to say that this is a contribution to the themed collection and add a “Note to the Editor” that this is from the Open Call. The Editorial Office reserves the right to check suitability of submissions in relation to the scope of both the journal and the collection, and inclusion of accepted articles in the final themed issue is not guaranteed.

All submissions undergo our fair and impartial peer-review and accepted articles will be published online in a citeable form, included in the web collection and published in an issue as soon as they are ready.

These challenges provide a valuable resource to the community in that they provide a rare opportunity for methods developers to test their methods head-to-head on the same datasets and participate in truly predictive challenges where experimental results are not available. They also provide a place where outside observers can get a fair assessment of the relative performance of state-of-the-art methods in a prospective setting, which is extremely valuable.

The aim of these two ongoing collections on the most recent SAMPL challenges is to report results and lessons learned, with papers from recent participants.

The SAMPL8 Challenges:

This collection will focus on the results of the Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) stage 8 series of modeling challenges. The SAMPL challenges test computational models on predictions of properties related to obstacles faced in drug discovery settings. SAMPL8 included components dealing with host-guest binding prediction and physical property prediction (logD and pKa), and this collection includes a series of reports on the challenge.

The SAMPL9 Challenges:

This collection will focus on the results of the Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) stage 9 series of modeling challenges. SAMPL9 included components dealing with predicting inhibitors of NanoLuc, host-guest binding prediction, and prediction of toluene-water logP values.

Contributions to both the SAMPL8 and SAMPL9 collections are welcomed, and articles can be included in both collections if they use data from both datasets.

This call for papers is open for the following article types:

• Communications
• Full papers
• Reviews and Perspectives

If you would like to contribute to this themed collection, you can submit your article directly through the journal’s online submission service. Please answer the themed collection question in the submission form when uploading your files to say that this is a contribution to the themed collection and add a “Note to the Editor” that this is from the Open Call. The Editorial Office reserves the right to check the suitability of submissions in relation to the scope of both the journal and the collection, and the inclusion of accepted articles in the final themed issue is not guaranteed.

All submissions undergo our fair and impartial peer-review and accepted articles will be published online in a citeable form, included in the web collection and published in an issue as soon as they are ready.

This themed issue aims to highlight original achievements or historical perspectives which provide or discuss developments on understanding fundamental aspects of mechanically driven reactivity of individual molecules and solids.

This call for papers is open for the following article types:

• Communications
• Full papers
• Reviews and Perspectives

If you would like to contribute to this themed collection, you can submit your article directly through the journal’s online submission service. Please answer the themed collection question in the submission form when uploading your files to say that this is a contribution to the themed collection and add a “Note to the Editor” that this is from the Open Call. The Editorial Office reserves the right to check the suitability of submissions in relation to the scope of both the journal and the collection, and inclusion of accepted articles in the final themed issue is not guaranteed.

All submissions undergo our fair and impartial peer-review and accepted articles will be published online in a citeable form, included in the web collection and published in an issue as soon as they are ready.

Balanced numbers of contributions from experimental and computational groups are expected and welcomed.

This call for papers is open for the following article types:

• Communications
• Full papers
• Reviews and Perspectives

If you would like to contribute to this themed collection, you can submit your article directly through the journal’s online submission service. Please answer the themed collection question in the submission form when uploading your files to say that this is a contribution to the themed collection and add a “Note to the Editor” that this is from the Open Call. The Editorial Office reserves the right to check the suitability of submissions in relation to the scope of both the journal and the collection, and inclusion of accepted articles in the final themed issue is not guaranteed.

All submissions undergo our fair and impartial peer-review and accepted articles will be published online in a citeable form, included in the web collection and published in an issue as soon as they are ready.