From wireframes to immersive reality: a historical perspective on molecular visualization software.

Λεπτομέρειες βιβλιογραφικής εγγραφής
Τίτλος: From wireframes to immersive reality: a historical perspective on molecular visualization software.
Συγγραφείς: Leitão AL; Departamento de Química, Faculdade de Ciências e Tecnologia, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal., Enguita FJ; Faculdade de Medicina, Universidade de Lisboa, Av. Professor Egas Moniz, 1649-028 Lisboa, Portugal.
Πηγή: Briefings in bioinformatics [Brief Bioinform] 2026 Sep 01; Vol. 27 (5).
Τύπος έκδοσης: Journal Article; Review; Historical Article
Γλώσσα: English
Στοιχεία περιοδικού: Publisher: Oxford University Press Country of Publication: England NLM ID: 100912837 Publication Model: Print Cited Medium: Internet ISSN: 1477-4054 (Electronic) Linking ISSN: 14675463 NLM ISO Abbreviation: Brief Bioinform Subsets: MEDLINE
Imprint Name(s): Publication: Oxford : Oxford University Press
Original Publication: London ; Birmingham, AL : H. Stewart Publications, [2000-
Ιατρικοί όροι (MeSH): Software*/history , Computational Biology*/methods , Computational Biology*/history , Computer Graphics*, History, 21st Century ; History, 20th Century ; Virtual Reality
Περίληψη: The evolution of molecular visualization software represents a pivotal yet often underappreciated dimension of computational structural biology and bioinformatics. As the scale and complexity of structural datasets increase, spanning from cryo-electron microscopy reconstructions to proteome-wide AI-predicted models, visualization tools have become essential for data interpretation, hypothesis generation, and effective scientific communication. Widely used platforms such as PyMOL, UCSF Chimera, and emerging virtual reality environments reflect decades of progressive innovation driven by advancements in computational hardware, graphics rendering, and algorithm development. This review traces the historical development of molecular graphics software, from early vector-based applications like FRODO and O, through interactive tools including RasMol and VMD, to modern real-time 3D visualization frameworks. We highlight key technological milestones and design principles that continue to shape contemporary software architectures, underscoring the interdisciplinary collaborations among chemists, structural biologists, and computer scientists that have propelled the field. Given the current integration of artificial intelligence, immersive visualization, and cloud computing in structural bioinformatics workflows, revisiting this topic provides critical context for guiding the design of more intuitive, scalable, and accessible visualization platforms. By documenting and critically analyzing this trajectory, the present work aims to honor the foundational contributions to molecular graphics while positioning the field as a dynamic and integral component of future bioinformatics research and computational discovery.
(© The Author(s) 2026. Published by Oxford University Press.)
References: Protein Sci. 2016 Oct;25(10):1873-82. (PMID: 27488983)
Bioinformatics. 2014 Oct 15;30(20):2981-2. (PMID: 24996895)
Bioinformatics. 2025 Dec 1;41(12):. (PMID: 41325277)
Acta Crystallogr D Struct Biol. 2021 Jun 1;77(Pt 6):746-754. (PMID: 34076589)
Biochem Mol Biol Educ. 2016 Sep 10;44(5):433-7. (PMID: 27241834)
Methods Mol Biol. 2018;1685:43-67. (PMID: 29086303)
Protein Sci. 2018 Jan;27(1):293-315. (PMID: 29067766)
J Comput Chem. 2005 Dec;26(16):1701-18. (PMID: 16211538)
Acta Crystallogr D Biol Crystallogr. 1994 Sep 1;50(Pt 5):760-3. (PMID: 15299374)
Bioinform Adv. 2025 Jun 16;5(1):vbaf129. (PMID: 40538444)
Bioinformatics. 2020 Jan 1;36(1):131-135. (PMID: 31218344)
J Struct Biol. 1999 Apr-May;125(2-3):156-65. (PMID: 10222271)
J Comput Chem. 2014 Feb 15;35(5):406-13. (PMID: 24302199)
Acta Crystallogr D Biol Crystallogr. 2011 Apr;67(Pt 4):235-42. (PMID: 21460441)
IEEE Trans Vis Comput Graph. 2006 Sep-Oct;12(5):1237-44. (PMID: 17080857)
Nat Struct Mol Biol. 2009 Dec;16(12):1202-3. (PMID: 19956203)
Fed Proc. 1974 Dec;33(12):2336-40. (PMID: 4435234)
Acta Crystallogr D Biol Crystallogr. 2004 Dec;60(Pt 12 Pt 1):2288-94. (PMID: 15572783)
Front Bioinform. 2025 Jun 06;5:1588661. (PMID: 40546732)
Nucleic Acids Res. 2015 Jul 1;43(W1):W576-9. (PMID: 25925569)
Methods Enzymol. 1985;115:157-71. (PMID: 3841179)
Structure. 2005 Mar;13(3):473-82. (PMID: 15766548)
Nucleic Acids Res. 2025 Jan 6;53(D1):D1516-D1525. (PMID: 39558165)
J Mol Graph. 1996 Feb;14(1):33-8, 27-8. (PMID: 8744570)
J Chem Inf Model. 2021 Oct 25;61(10):5293-5303. (PMID: 34528431)
J Comput Chem. 2004 Oct;25(13):1605-12. (PMID: 15264254)
J Biol Chem. 2021 Jan-Jun;296:100742. (PMID: 33957126)
Biopolymers. 1996 Mar;38(3):305-20. (PMID: 8906967)
Acta Crystallogr D Biol Crystallogr. 2002 Nov;58(Pt 11):1955-7. (PMID: 12393928)
Bioinformatics. 2022 Sep 2;38(17):4233-4234. (PMID: 35792827)
Sci Adv. 2018 Jun 29;4(6):eaat2731. (PMID: 29963636)
Comput Sci Discov. 2011;4(1):. (PMID: 21686063)
Trends Biochem Sci. 1995 Sep;20(9):374. (PMID: 7482707)
J Mol Graph. 1994 Mar;12(1):41-4, 36. (PMID: 8011601)
Trends Biochem Sci. 2000 Sep;25(9):453-5. (PMID: 10973060)
Nucleic Acids Res. 2024 Jan 5;52(D1):D1265-D1275. (PMID: 37953279)
Methods Mol Biol. 2012;841:143-59. (PMID: 22222451)
Protein Sci. 2009 Nov;18(11):2403-9. (PMID: 19768809)
High Perform Comput (2016). 2016 Jun;9945:188-206. (PMID: 29202130)
Bioinformatics. 2020 May 1;36(9):2909-2911. (PMID: 31930403)
Fed Proc. 1959 Jul;18(2, Part 1):740-51. (PMID: 13672267)
Acta Crystallogr D Biol Crystallogr. 2011 Apr;67(Pt 4):386-94. (PMID: 21460457)
Nat Methods. 2017 Nov 30;14(12):1121-1122. (PMID: 29190272)
Acta Crystallogr D Struct Biol. 2023 Jun 1;79(Pt 6):449-461. (PMID: 37259835)
J Mol Graph. 1996 Feb;14(1):19-22, 25-7. (PMID: 8744569)
Protein Sci. 2021 Jan;30(1):70-82. (PMID: 32881101)
Protein Sci. 2020 Jan;29(1):237-246. (PMID: 31710727)
J Chem Theory Comput. 2013 Sep 10;9(9):. (PMID: 24185531)
Acta Crystallogr D Struct Biol. 2024 Mar 1;80(Pt 3):148-158. (PMID: 38411552)
Acta Crystallogr A. 1991 Mar 1;47 ( Pt 2):110-9. (PMID: 2025413)
Acta Crystallogr D Biol Crystallogr. 2010 Apr;66(Pt 4):486-501. (PMID: 20383002)
Protein Sci. 2021 Jan;30(1):262-269. (PMID: 33179363)
Biomolecules. 2022 Nov 27;12(12):. (PMID: 36551192)
J Cheminform. 2016 Aug 26;8(1):42. (PMID: 27570544)
Biochem Mol Biol Educ. 2025 May-Jun;53(3):321-329. (PMID: 39936457)
J Biosci. 2011 Sep;36(4):571-4. (PMID: 21857104)
Acta Crystallogr D Biol Crystallogr. 2012 Apr;68(Pt 4):352-67. (PMID: 22505256)
Acta Crystallogr D Biol Crystallogr. 2004 Dec;60(Pt 12 Pt 1):2126-32. (PMID: 15572765)
Methods Enzymol. 2003;374:300-21. (PMID: 14696379)
J Chem Inf Model. 2023 Oct 23;63(20):6177-6182. (PMID: 37782001)
Acta Crystallogr D Biol Crystallogr. 2012 Apr;68(Pt 4):425-30. (PMID: 22505262)
J Mol Biol. 1968 Oct 14;37(1):225-30. (PMID: 5760491)
Sci Am. 1966 Jun;214(6):42-52. (PMID: 5930597)
Curr Opin Struct Biol. 2007 Oct;17(5):587-95. (PMID: 17728125)
Source Code Biol Med. 2009 Feb 17;4:3. (PMID: 19222844)
PLoS Comput Biol. 2017 Jun 2;13(6):e1005575. (PMID: 28574982)
Protein Sci. 2020 Apr;29(4):1069-1078. (PMID: 31730249)
J Comput Chem. 2007 Dec;28(16):2618-40. (PMID: 17894371)
Dan Tidsskr Farm. 1964 Jun;38:113-22. (PMID: 14183200)
Nucleic Acids Res. 2021 Jul 2;49(W1):W431-W437. (PMID: 33956157)
Curr Protoc Bioinformatics. 2008 Dec;Chapter 5:Unit 5.7. (PMID: 19085979)
Trends Biochem Sci. 1994 Mar;19(3):135-8. (PMID: 8203021)
Endeavour. 2002 Dec;26(4):127-31. (PMID: 12535918)
Front Mol Biosci. 2022 Feb 17;9:831740. (PMID: 35252351)
J Chem Theory Comput. 2022 Mar 8;18(3):1821-1837. (PMID: 35192350)
J Chem Inf Model. 2023 Dec 11;63(23):7382-7391. (PMID: 38011026)
Protein Sci. 1992 Jan;1(1):3-9. (PMID: 1304880)
Biophys J. 1992 Nov;63(5):1185. (PMID: 19431853)
J Comput Phys. 2011 May 1;230(9):3556-3569. (PMID: 21547007)
Protein Sci. 2023 Nov;32(11):e4792. (PMID: 37774136)
Protein Sci. 2018 Jan;27(1):14-25. (PMID: 28710774)
Bioinformatics. 2021 May 17;37(7):1029-1031. (PMID: 32745209)
Comput Biol Chem. 2020 Jun 24;87:107322. (PMID: 32604028)
J Chem Doc. 1972 Nov;12(4):234-7. (PMID: 4642989)
Q Rev Biophys. 2025 Feb 20;58:e9. (PMID: 39973356)
Contributed Indexing: Keywords: bioinformatics; graphical interface; molecular dynamics; molecular visualization
Entry Date(s): Date Created: 20260907 Date Completed: 20260907 Latest Revision: 20260909
Update Code: 20260909
PubMed Central ID: PMC13549435
DOI: 10.1093/bib/bbag373
PMID: 42704848
Βάση Δεδομένων: MEDLINE