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Free energy calculations in molecular modeling: from classical methods to machine learning.

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Title: Free energy calculations in molecular modeling: from classical methods to machine learning.
Authors: Purohit A; Mumbai, India. apoorva.pur@gmail.com.
Source: Journal of molecular modeling [J Mol Model] 2026 Mar 28; Vol. 32 (4). Date of Electronic Publication: 2026 Mar 28.
Publication Type: Journal Article; Review
Journal Info: Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet ISSN: 0948-5023 (Electronic) Linking ISSN: 09485023 NLM ISO Abbreviation: J Mol Model Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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Header DbId: mdl
DbLabel: MEDLINE Ultimate
An: 41896379
AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
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PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=41896379
RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1007/s00894-026-06678-8
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      – Code: eng
        Text: English
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      – TitleFull: Free energy calculations in molecular modeling: from classical methods to machine learning.
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            NameFull: Purohit A
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            – D: 28
              M: 03
              Text: 2026 Mar 28
              Type: published
              Y: 2026
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              Value: 32
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              Value: 4
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            – TitleFull: Journal of molecular modeling
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