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QMMM 2023: A program for combined quantum mechanical and molecular mechanical modeling and simulations

Computer Physics Communications(2023)10.1016/j.cpc.2023.108987Source: DataRank Database

QMMM 2023: A program for combined quantum mechanical and molecular mechanical modeling and simulations is a research paper published in Computer Physics Communications (2023). On theSindex it has a DataRank of 0. It has been cited 18 times.

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Open Access18 citations

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Enrichment:Funding (9 grants)OA: hybridTopics (14)Linked Datasets (2)DataCite Reuse (2)IDs (PubMed)

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Accessible (1/2)

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Interoperable (2/2)

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Authors (9)

Yan Zhang ORCID,Soroosh Pezeshki,Adam W. Duster ORCID,Bo Wang ORCID,Xin‐Ping Wu ORCID

Live enrichment

PubMed:40443713

Office of Naval Research

Grant: N00014-05-1-0538

Office of Naval Research

Grant: CC6725

National Institutes of Health

Grant: 1R15GM141728-01

Operation Mechanism of CLCF Fluoride/Proton Antiporter

National Natural Science Foundation of China

Grant: 22003016

Basic Energy Sciences

Grant: DE-SC0023383

Basic Energy Sciences

Grant: DE-FG02-17ER16362

Basic Energy Sciences

Grant: DE-SC0015997

National Science Foundation

Grant: CHE-2153441

NIGMS NIH HHS

Grant: R15 GM141728

hybridLicense: cc-by

HYBRIDhttps://doi.org/10.1016/j.cpc.2023.108987

publisherhttps://doi.org/10.1016/j.cpc.2023.108987

publisherhttps://api.elsevier.com/content/article/PII:S0010465523003326?httpAccept=text/xml

publisherhttps://api.elsevier.com/content/article/PII:S0010465523003326?httpAccept=text/plain

repositoryhttps://www.osti.gov/servlets/purl/2404529

Fields of Study

MedicineComputer ScienceChemistry0103 physical sciences01 natural sciences

Keywords

polarizable-boundaryredistributed charge and dipoleSoftware, source code, etc. for problems pertaining to quantum theoryMathematical modeling or simulation for problems pertaining to quantum theoryflexible-boundaryQM-MM boundarytuned and balanced boundaryadaptive partitioningQM–MM boundary

QMMM 2023: A program for combined quantum mechanical and molecular mechanical modeling and simulations

10.17632/zmkc9db4zjMendeley Data

QMMM 2023: A program for combined quantum mechanical and molecular mechanical modeling and simulations

10.17632/zmkc9db4zj.1Mendeley Data