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Academic Journal

Deciphering the Multi-state Conformational Equilibrium of HDM2 in the Regulation of p53 Binding: Perspectives from Molecular Dynamics Simulation and NMR Analysis.

  • Authors : Watanabe K; Graduate School of Pharmaceutical Sciences, Chiba University, 1-8-1 Inohana, Chuo-ku, Chiba 260-8675, Japan.; Zhao Q

Subjects: Molecular Dynamics Simulation* ; Tumor Suppressor Protein p53*/Tumor Suppressor Protein p53*/Tumor Suppressor Protein p53*/chemistry; Proto-Oncogene Proteins c-mdm2/Proto-Oncogene Proteins c-mdm2/Proto-Oncogene Proteins c-mdm2/chemistry

  • Source: Journal of the American Chemical Society [J Am Chem Soc] 2024 Apr 10; Vol. 146 (14), pp. 9790-9800. Date of Electronic Publication: 2024 Mar 28.Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Early Folding Dynamics of i-Motif DNA Revealed by pH-Jump Time-Resolved X-ray Solution Scattering.

  • Authors : Chan AM; Department of Chemistry, Northwestern University, Evanston, Illinois 60208, United States.; International Institute for Nanotechnology, Northwestern University, Evanston, Illinois 60208, United States.

Subjects: DNA*/DNA*/DNA*/chemistry ; Molecular Dynamics Simulation* ; Nucleic Acid Conformation*

  • Source: Journal of the American Chemical Society [J Am Chem Soc] 2024 Dec 11; Vol. 146 (49), pp. 33743-33752. Date of Electronic Publication: 2024 Nov 28.Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Interaction-Dependent Secondary Structure of Peptides in Biomolecular Condensates.

  • Authors : Lorenz-Ochoa KA; Department of Chemistry, University of Texas at Austin, Austin, Texas 78712, United States.; Cho M

Subjects: Biomolecular Condensates*/Biomolecular Condensates*/Biomolecular Condensates*/chemistry ; Peptides*/Peptides*/Peptides*/chemistry ; Molecular Dynamics Simulation*

  • Source: Journal of the American Chemical Society [J Am Chem Soc] 2024 Dec 11; Vol. 146 (49), pp. 33616-33625. Date of Electronic Publication: 2024 Nov 26.Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Nuclear Quantum Effects in Quantum Mechanical/Molecular Mechanical Free Energy Simulations of Ribonucleotide Reductase.

  • Authors : Chow M; Department of Chemistry, Yale University, New Haven, Connecticut 06520, United States.; Reinhardt CR

Subjects: Ribonucleotide Reductases*/Ribonucleotide Reductases*/Ribonucleotide Reductases*/chemistry ; Ribonucleotide Reductases*/Ribonucleotide Reductases*/Ribonucleotide Reductases*/metabolism ; Molecular Dynamics Simulation*

  • Source: Journal of the American Chemical Society [J Am Chem Soc] 2024 Dec 04; Vol. 146 (48), pp. 33258-33264. Date of Electronic Publication: 2024 Nov 20.Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Native Cellular Membranes Facilitate Channel Activity of MscL by Enhancing Slow Collective Motions of Its Transmembrane Helices.

  • Authors : Tan H; National Center for Magnetic Resonance in Wuhan, Key Laboratory of Magnetic Resonance in Biological Systems, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, P. R. China.; Zhao W

Subjects: Molecular Dynamics Simulation* ; Cell Membrane*/Cell Membrane*/Cell Membrane*/chemistry ; Cell Membrane*/Cell Membrane*/Cell Membrane*/metabolism

  • Source: Journal of the American Chemical Society [J Am Chem Soc] 2024 Nov 20; Vol. 146 (46), pp. 31472-31485. Date of Electronic Publication: 2024 Nov 06.Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Protamine-Mediated Tangles Produce Extreme Deoxyribonucleic Acid Compaction.

  • Authors : Ahlawat V; Department of Chemistry, University of Illinois Chicago, Chicago, Illinois 60607, United States.; Department of Physics, University of Illinois Chicago, Chicago, Illinois 60607, United States.

Subjects: Protamines*/Protamines*/Protamines*/chemistry ; Protamines*/Protamines*/Protamines*/metabolism ; DNA*/DNA*/DNA*/chemistry

  • Source: Journal of the American Chemical Society [J Am Chem Soc] 2024 Nov 06; Vol. 146 (44), pp. 30668-30677. Date of Electronic Publication: 2024 Oct 29.Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Megamolecule Self-Assembly Networks: A Combined Computational and Experimental Design Strategy.

  • Authors : Wu J; Department of Chemistry, Chicago Center for Theoretical Chemistry, The James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States.; Gu Z

Subjects: Molecular Dynamics Simulation*; Carboxylic Ester Hydrolases

  • Source: Journal of the American Chemical Society [J Am Chem Soc] 2024 Nov 06; Vol. 146 (44), pp. 30553-30564. Date of Electronic Publication: 2024 Oct 25.Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Molecular Dynamics Unveils Multiple-Site Binding of Inhibitors with Reduced Activity on the Surface of Dihydrofolate Reductase.

  • Authors : Araki M; Graduate School of Medicine, Kyoto University, 53 Shogoin-Kawaharacho, Sakyo-ku, Kyoto 606-8507, Japan.; Ekimoto T

Subjects: Tetrahydrofolate Dehydrogenase*/Tetrahydrofolate Dehydrogenase*/Tetrahydrofolate Dehydrogenase*/metabolism ; Tetrahydrofolate Dehydrogenase*/Tetrahydrofolate Dehydrogenase*/Tetrahydrofolate Dehydrogenase*/chemistry ; Molecular Dynamics Simulation*

  • Source: Journal of the American Chemical Society [J Am Chem Soc] 2024 Oct 23; Vol. 146 (42), pp. 28685-28695. Date of Electronic Publication: 2024 Oct 12.Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Probing the Origins of the Disorder-to-Order Transition of a Modified Cholesterol in Ternary Lipid Bilayers.

  • Authors : Majumder A; Department of Chemistry, Boston University, 590 Commonwealth Avenue, Boston, Massachusetts 02215, United States.; Gu Y

Subjects: Lipid Bilayers*/Lipid Bilayers*/Lipid Bilayers*/chemistry ; Cholesterol*/Cholesterol*/Cholesterol*/chemistry ; Molecular Dynamics Simulation*

  • Source: Journal of the American Chemical Society [J Am Chem Soc] 2024 Oct 09; Vol. 146 (40), pp. 27725-27735. Date of Electronic Publication: 2024 Sep 24.Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Design and Mechanistic Insights into α-Helical p -Terphenyl Guanidines as Potent Small-Molecule Antifreeze Agents.

  • Authors : Ariff PNAM; Department of Nanopharmaceutical Sciences, Nagoya Institute of Technology, Gokiso, Showa-Ku, Nagoya 466-8555, Japan.; Sedgwick DM

Subjects: Guanidines*/Guanidines*/Guanidines*/chemistry ; Guanidines*/Guanidines*/Guanidines*/chemical synthesis ; Molecular Dynamics Simulation*

  • Source: Journal of the American Chemical Society [J Am Chem Soc] 2024 Sep 25; Vol. 146 (38), pp. 26435-26441. Date of Electronic Publication: 2024 Sep 04.Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet

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  • 1-10 of  4,302 results for ""Molecular Dynamics Simulation""