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Authors :
Methorst J; Leiden Institute of Chemistry, Leiden University, 2333 CC Leiden, The Netherlands.; Department of Physics, Technische Universität Dortmund, 44227 Dortmund, Germany.
Subjects: Physics* ; Molecular Dynamics Simulation*; Thermodynamics
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Source:
Journal of chemical theory and computation [J Chem Theory Comput] 2024 Mar 12; Vol. 20 (5), pp. 1763-1776. Date of Electronic Publication: 2024 Feb 27.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic
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Authors :
Lipska AG; Centre of Informatics Tri-city Academic Supercomputer and Network (CI TASK), Gdańsk University of Technology, Fahrenheit Union of Universities in Gdańsk, ul. G. Narutowicza 11/12, 80-233 Gdańsk, Poland.; Sieradzan AK
Subjects: Proteins*/Proteins*/Proteins*/chemistry ; Physics*
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Source:
The journal of physical chemistry letters [J Phys Chem Lett] 2023 Nov 09; Vol. 14 (44), pp. 9824-9833. Date of Electronic Publication: 2023 Oct 27.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101526034 Publication Model: Print-Electronic
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Authors :
Sala L; J. Heyrovský Institute of Physical Chemistry v.v.i., The Czech Academy of Sciences, Dolejškova 3, 18223Prague, Czech Republic.; Luxford TFM
Subjects: Physics* ; Chemistry*; Congresses as Topic
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Source:
The journal of physical chemistry. A [J Phys Chem A] 2022 Nov 24; Vol. 126 (46), pp. 8557-8561. Date of Electronic Publication: 2022 Nov 11.Publisher: American Chemical Society Country of Publication: United States NLM ID: 9890903 Publication Model: Print-Electronic
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Authors :
Harris J; Department of Chemistry, The University of Chicago, 5735 S Ellis Avenue, Chicago, Illinois 60637, United States.; Chipot C
Subjects: Nicotine*/Nicotine*/Nicotine*/chemistry ; Physics*; Varenicline
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Source:
The journal of physical chemistry. B [J Phys Chem B] 2024 Jan 25; Vol. 128 (3), pp. 795-811. Date of Electronic Publication: 2024 Jan 16.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101157530 Publication Model: Print-Electronic
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Authors :
Rubina; Third World Center for Science and Technology H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Science University of Karachi, Karachi 75270, Pakistan.; Moin ST
Subjects: Molecular Dynamics Simulation* ; Physics*; Ligands
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Source:
Journal of chemical information and modeling [J Chem Inf Model] 2023 Dec 25; Vol. 63 (24), pp. 7729-7743. Date of Electronic Publication: 2023 Dec 07.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic
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Authors :
Wu S; Key Laboratory of Flexible Electronics (KLOFE) & Institute of Advanced Materials (IAM), Nanjing Tech University (Nanjing Tech), Nanjing 211816, P. R. China.; Yang X
Subjects: Machine Learning* ; Physics*
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Source:
Journal of chemical information and modeling [J Chem Inf Model] 2023 Nov 27; Vol. 63 (22), pp. 6972-6985. Date of Electronic Publication: 2023 Sep 26.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic
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Authors :
Yang WH; Department of Physics, Xiamen University, Xiamen 361005, China.; Yu FQ
Subjects: Algorithms* ; Physics*; Cell Proliferation
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Source:
Journal of chemical information and modeling [J Chem Inf Model] 2023 Nov 13; Vol. 63 (21), pp. 6727-6739. Date of Electronic Publication: 2023 Oct 18.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic
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Authors :
Cleves AE; Applied Science, BioPharmics LLC, Santa Rosa, California 95404, United States.; Johnson SR
Subjects: Machine Learning* ; Physics*; Computer Simulation
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Source:
Journal of chemical information and modeling [J Chem Inf Model] 2021 Dec 27; Vol. 61 (12), pp. 5948-5966. Date of Electronic Publication: 2021 Dec 10.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic
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Authors :
Johnson MS; Combustion Research Facility, Sandia National Laboratories, Livermore, California 94550, United States.; Gierada M
Subjects: Physics*; Kinetics ; Workflow
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Source:
Journal of chemical information and modeling [J Chem Inf Model] 2023 Aug 28; Vol. 63 (16), pp. 5153-5168. Date of Electronic Publication: 2023 Aug 09.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic
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Authors :
Hong RS; Research & Development, AbbVie Inc., 1 N Waukegan Road, North Chicago, Illinois 60064, United States.; Mattei A
Subjects: Physics* ; Water*; Humans
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Source:
Journal of chemical information and modeling [J Chem Inf Model] 2021 Mar 22; Vol. 61 (3), pp. 1412-1426. Date of Electronic Publication: 2021 Mar 04.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic
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