Ilian T. Todorov - Search Results

Year	Number of Results
2005	1
2014	1
2016	1
2017	1
2021	1
2022	1
2023	2
2024	0

1

Advanced Potential Energy Surfaces for Molecular Simulation.

Albaugh A, Boateng HA, Bradshaw RT, Demerdash ON, Dziedzic J, Mao Y, Margul DT, Swails J, Zeng Q, Case DA, Eastman P, Wang LP, Essex JW, Head-Gordon M, Pande VS, Ponder JW, Shao Y, Skylaris CK, Todorov IT, Tuckerman ME, Head-Gordon T. Albaugh A, et al. Among authors: todorov it. J Phys Chem B. 2016 Sep 22;120(37):9811-32. doi: 10.1021/acs.jpcb.6b06414. J Phys Chem B. 2016. PMID: 27513316 Free PMC article. Review.

2

Interactive molecular dynamics in virtual reality for modelling materials and catalysts.

Crossley-Lewis J, Dunn J, Buda C, Sunley GJ, Elena AM, Todorov IT, Yong CW, Glowacki DR, Mulholland AJ, Allan NL. Crossley-Lewis J, et al. Among authors: todorov it. J Mol Graph Model. 2023 Dec;125:108606. doi: 10.1016/j.jmgm.2023.108606. Epub 2023 Aug 24. J Mol Graph Model. 2023. PMID: 37660615 Free article.

3

Data on the intermolecular interactions of 1,1,1,2-tetrafluoroethane liquids from molecular dynamics simulations.

Yong CW, Barron VW, Slowey A, Todorov IT, Roberts KJ, Hammond RB. Yong CW, et al. Among authors: todorov it. Data Brief. 2023 Aug 11;50:109485. doi: 10.1016/j.dib.2023.109485. eCollection 2023 Oct. Data Brief. 2023. PMID: 37645445 Free PMC article.

4

The structural pathway from its solvated molecular state to the solution crystallisation of the α- and β-polymorphic forms of para amino benzoic acid.

Rosbottom I, Turner TD, Ma CY, Hammond RB, Roberts KJ, Yong CW, Todorov IT. Rosbottom I, et al. Among authors: todorov it. Faraday Discuss. 2022 Jul 14;235(0):467-489. doi: 10.1039/d1fd00112d. Faraday Discuss. 2022. PMID: 35389403 Free article.

5

Triglycine (GGG) Adopts a Polyproline II (pPII) Conformation in Its Hydrated Crystal Form: Revealing the Role of Water in Peptide Crystallization.

Guo M, Rosbottom I, Zhou L, Yong CW, Zhou L, Yin Q, Todorov IT, Errington E, Heng JYY. Guo M, et al. Among authors: todorov it. J Phys Chem Lett. 2021 Sep 2;12(34):8416-8422. doi: 10.1021/acs.jpclett.1c01622. Epub 2021 Aug 26. J Phys Chem Lett. 2021. PMID: 34436909

6

Order parameter and connectivity topology analysis of crystalline ceramics for nuclear waste immobilization.

Archer A, Foxhall HR, Allan NL, Gunn DS, Harding JH, Todorov IT, Travis KP, Purton JA. Archer A, et al. Among authors: todorov it. J Phys Condens Matter. 2014 Dec 3;26(48):485011. doi: 10.1088/0953-8984/26/48/485011. Epub 2014 Nov 7. J Phys Condens Matter. 2014. PMID: 25380292 Free article.

7

DL_ANALYSER Notation for Atomic Interactions (DANAI): A Natural Annotation System for Molecular Interactions, Using Ethanoic Acid Liquid as a Test Case.

Yong CW, Todorov IT. Yong CW, et al. Among authors: todorov it. Molecules. 2017 Dec 24;23(1):36. doi: 10.3390/molecules23010036. Molecules. 2017. PMID: 29295538 Free PMC article.

8

Monte Carlo simulation of segregation in ceramic thin films.

Purton JA, Lavrentiev MY, Allan NL, Todorov IT. Purton JA, et al. Among authors: todorov it. Phys Chem Chem Phys. 2005 Oct 21;7(20):3601-4. doi: 10.1039/b506271c. Epub 2005 Aug 30. Phys Chem Chem Phys. 2005. PMID: 16294237

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