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Academic Journal

In silico design and computational evaluation of novel 2-arylaminopyrimidine-based compounds as potential multi-targeted protein kinase inhibitors: application for the native and mutant (T315I) Bcr-Abl tyrosine kinase.

  • Authors : Koroleva EV; Institute of Chemistry of New Materials, National Academy of Sciences of Belarus, Minsk, Republic of Belarus.; Kornoushenko YV

Subjects: Computer Simulation* ; Drug Design* ; Fusion Proteins, bcr-abl*/Fusion Proteins, bcr-abl*/Fusion Proteins, bcr-abl*/antagonists & inhibitors

  • Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023 Jun; Vol. 41 (9), pp. 4065-4080. Date of Electronic Publication: 2022 Apr 26.Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Evaluation of phytoconstituents of Tinospora cordifolia against K417N and N501Y mutant spike glycoprotein and main protease of SARS-CoV-2- an in silico study.

  • Authors : Choudhary P; Applied Science Department, Indian Institute of Information Technology, Allahabad, Uttar Pradesh, India.; Singh T

Subjects: Computer Simulation* ; Coronavirus 3C Proteases*/Coronavirus 3C Proteases*/Coronavirus 3C Proteases*/antagonists & inhibitors ; Mutant Proteins*/Mutant Proteins*/Mutant Proteins*/antagonists & inhibitors

  • Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023 Jun; Vol. 41 (9), pp. 4106-4123. Date of Electronic Publication: 2022 Apr 25.Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Rapid Assessment of Binding Affinity of SARS-COV-2 Spike Protein to the Human Angiotensin-Converting Enzyme 2 Receptor and to Neutralizing Biomolecules Based on Computer Simulations.

  • Authors : Buratto D; Shanghai Institute for Advanced Immunochemical Studies, ShanghaiTech University, Shanghai, China.; Saxena A

Subjects: Angiotensin-Converting Enzyme 2* ; Computer Simulation* ; Molecular Dynamics Simulation*

  • Source: Frontiers in immunology [Front Immunol] 2021 Nov 11; Vol. 12, pp. 730099. Date of Electronic Publication: 2021 Nov 11 (Print Publication: 2021).Publisher: Frontiers Research Foundation] Country of Publication: Switzerland NLM ID: 101560960 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

Reactivities of the Front Pocket N-Terminal Cap Cysteines in Human Kinases.

  • Authors : Liu R; Department of Pharmaceutical Sciences, University of Maryland School of Pharmacy, Baltimore, Maryland 21201, United States.; Zhan S

Subjects: Computer Simulation* ; Molecular Dynamics Simulation*; Cysteine/Cysteine/Cysteine/*chemistry

  • Source: Journal of medicinal chemistry [J Med Chem] 2022 Jan 27; Vol. 65 (2), pp. 1525-1535. Date of Electronic Publication: 2021 Oct 14.Publisher: American Chemical Society Country of Publication: United States NLM ID: 9716531 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

In Silico Drug Repurposing Approach: Investigation of Mycobacterium tuberculosis FadD32 Targeted by FDA-Approved Drugs.

  • Authors : Ngidi NTP; School of Laboratory Medicine and Medical Sciences, University of KwaZulu-Natal, Durban 4001, South Africa.; Machaba KE

Subjects: Computer Simulation* ; Molecular Dynamics Simulation*; Anti-Bacterial Agents/Anti-Bacterial Agents/Anti-Bacterial Agents/*pharmacology

  • Source: Molecules (Basel, Switzerland) [Molecules] 2022 Jan 20; Vol. 27 (3). Date of Electronic Publication: 2022 Jan 20.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

An approximation of one-dimensional nonlinear Kortweg de Vries equation of order nine.

  • Authors : Saleem S; Department of Mathematics, Lahore College for Women University, Lahore, Pakistan.; Hussain MZ

Subjects: Algorithms* ; Computer Simulation* ; Models, Theoretical*

  • Source: PloS one [PLoS One] 2022 Jan 07; Vol. 17 (1), pp. e0262157. Date of Electronic Publication: 2022 Jan 07 (Print Publication: 2022).Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

Hopf bifurcation, stability switches and chaos in a prey-predator system with three stage structure and two time delays.

  • Authors : Li SY; School of Mathematics and Statistics, Qiannan Normal University for Nationalities, Guizhou, 558000, P.R. China.; Key Laboratory of Complex Systems and Intelligent Computing,School of Mathematics and Statistics, Qiannan Normal University for Nationalities, Guizhou, 558000, P.R. China.

Subjects: Computer Simulation* ; Models, Theoretical* ; Population Dynamics*

  • Source: Mathematical biosciences and engineering : MBE [Math Biosci Eng] 2019 Jul 30; Vol. 16 (6), pp. 6934-6961.Publisher: American Institute of Mathematical Sciences;; _b Beihang University Country of Publication: United States NLM ID: 101197794 Publication Model: Print

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Academic Journal

Bifurcation structure of nonconstant positive steady states for a diffusive predator-prey model.

  • Authors : Tong DF; School of Mathematical Science, Huaiyin Normal University, Huaian, 223300, P.R. China.; Cai YL

Subjects: Computer Simulation* ; Population Dynamics* ; Predatory Behavior*

  • Source: Mathematical biosciences and engineering : MBE [Math Biosci Eng] 2019 May 06; Vol. 16 (5), pp. 3988-4006.Publisher: American Institute of Mathematical Sciences;; _b Beihang University Country of Publication: United States NLM ID: 101197794 Publication Model: Print

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Academic Journal

Multifractal and cross-correlation analysis on mitochondrial genome sequences using chaos game representation.

  • Authors : Thummadi NB; Department of Animal Biology, School of Life Sciences, University of Hyderabad, Gachibowli, Hyderabad 500 046, India.; Charutha S

Subjects: Computer Simulation* ; Game Theory* ; Genome, Mitochondrial*

  • Source: Mitochondrion [Mitochondrion] 2021 Sep; Vol. 60, pp. 121-128. Date of Electronic Publication: 2021 Aug 08.Publisher: Elsevier Science Country of Publication: Netherlands NLM ID: 100968751 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

In Silico Mutagenesis-Based Remodelling of SARS-CoV-1 Peptide (ATLQAIAS) to Inhibit SARS-CoV-2: Structural-Dynamics and Free Energy Calculations.

  • Authors : Khan A; Department of Bioinformatics and Biological Statistics, School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai, 200240, People's Republic of China.; Umbreen S

Subjects: Computer Simulation* ; Molecular Dynamics Simulation* ; Mutagenesis*

  • Source: Interdisciplinary sciences, computational life sciences [Interdiscip Sci] 2021 Sep; Vol. 13 (3), pp. 521-534. Date of Electronic Publication: 2021 Jul 29.Publisher: Springer-Verlag Country of Publication: Germany NLM ID: 101515919 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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  • 1-10 of  1,797 results for ""DYNAMICS""