Search Results - "simulation"

Developing a high fidelity, low cost simulation model for retrosigmoid craniotomy and microvascular decompression of the trigeminal nerve.

Authors: Roche AF Redmond T Zilani G et al.

Source: British journal of neurosurgery [Br J Neurosurg] 2025 Dec; Vol. 39 (6), pp. 828-831. Date of Electronic Publication: 2024 Aug 18.

Publication Type: Journal Article

Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8800054 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1360-046X (Electronic) Linking ISSN: 02688697 NLM ISO Abbreviation: Br J Neurosurg Subsets: MEDLINE

MeSH Terms: Craniotomy*/methods , Craniotomy*/education , Craniotomy*/economics , Microvascular Decompression Surgery*/education , Microvascular Decompression Surgery*/methods , Trigeminal Neuralgia*/surgery , Models, Anatomic* , Trigeminal Nerve*/surgery , Simulation Training*/methods , Simulation Training*/economics , Neurosurgical Procedures*/education , Neurosurgical Procedures*/methods, Humans ; Cerebellopontine Angle/surgery ; Computer Simulation

The Role of Educational Interactive Virtual Simulation App in Aesthetic Medicine and Cosmetic Dermatology Preclinical Skills.

Authors: Hassan H Khalil H Shatta B et al.

Source: Journal of cosmetic dermatology [J Cosmet Dermatol] 2025 Oct; Vol. 24 (10), pp. e70496.

Publication Type: Journal Article

Journal Info: Publisher: Blackwell Science Country of Publication: England NLM ID: 101130964 Publication Model: Print Cited Medium: Internet ISSN: 1473-2165 (Electronic) Linking ISSN: 14732130 NLM ISO Abbreviation: J Cosmet Dermatol Subsets: MEDLINE

MeSH Terms: Dermatology*/education , Clinical Competence* , Simulation Training*/methods , Mobile Applications* , Cosmetic Techniques*, Humans ; Female ; Adult ; Male ; Computer Simulation

Molecular dynamics simulation-driven focused virtual screening and experimental validation of Fisetin as an inhibitor of Helicobacter pylori HtrA protease.

Authors: Gao L Jiang X Duan H et al.

Source: Molecular diversity [Mol Divers] 2025 Dec; Vol. 29 (6), pp. 6243-6258. Date of Electronic Publication: 2025 Feb 23.

Publication Type: Journal Article

Journal Info: Publisher: ESCOM Science Publishers Country of Publication: Netherlands NLM ID: 9516534 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-501X (Electronic) Linking ISSN: 13811991 NLM ISO Abbreviation: Mol Divers Subsets: MEDLINE

MeSH Terms: Helicobacter pylori*/enzymology , Helicobacter pylori*/drug effects , Molecular Dynamics Simulation* , Anti-Bacterial Agents*/pharmacology , Anti-Bacterial Agents*/chemistry , Flavonoids*/pharmacology , Flavonoids*/chemistry , Bacterial Proteins*/antagonists & inhibitors , Bacterial Proteins*/chemistry , Bacterial Proteins*/metabolism , Serine Proteinase Inhibitors*/pharmacology , Serine Proteinase Inhibitors*/chemistry , High-Temperature Requirement A Serine Peptidase 1*/antagonists & inhibitors , High-Temperature Requirement A Serine Peptidase 1*/chemistry, Flavonols ; Molecular Docking Simulation ; Humans ; Caseins/metabolism ; Drug Evaluation, Preclinical

The Effect of Different Simulation Approaches in Breastfeeding Education on Nursing Students' Knowledge, Skills, and Clinical Self-Efficacy: A Randomized Controlled Trial.

Authors: Ceylan S Pardes BB Erdoğan EN et al.

Source: Breastfeeding medicine : the official journal of the Academy of Breastfeeding Medicine [Breastfeed Med] 2025 Dec; Vol. 20 (12), pp. 931-938. Date of Electronic Publication: 2025 Oct 06.

Publication Type: Journal Article; Randomized Controlled Trial

Journal Info: Publisher: Mary Ann Liebert Country of Publication: United States NLM ID: 101260777 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1556-8342 (Electronic) Linking ISSN: 15568253 NLM ISO Abbreviation: Breastfeed Med Subsets: MEDLINE

MeSH Terms: Breast Feeding*/psychology , Students, Nursing*/psychology , Clinical Competence* , Simulation Training*/methods, Humans ; Female ; Self Efficacy ; Adult ; Health Knowledge, Attitudes, Practice ; Manikins ; Education, Nursing, Baccalaureate/methods ; Patient Simulation ; Counseling/education ; Male ; Young Adult

Pterostilbene as a potent ESR-1 in breast cancer therapy: insights from network pharmacology, molecular docking, dynamics simulations, ADMET, and in vitro analysis.

Authors: Marwah H Dewangan HK

Source: Molecular diversity [Mol Divers] 2025 Dec; Vol. 29 (6), pp. 6259-6277. Date of Electronic Publication: 2025 Feb 24.

Publication Type: Journal Article

Journal Info: Publisher: ESCOM Science Publishers Country of Publication: Netherlands NLM ID: 9516534 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-501X (Electronic) Linking ISSN: 13811991 NLM ISO Abbreviation: Mol Divers Subsets: MEDLINE

MeSH Terms: Stilbenes*/pharmacology , Stilbenes*/chemistry , Molecular Docking Simulation* , Breast Neoplasms*/drug therapy , Breast Neoplasms*/metabolism , Estrogen Receptor alpha*/metabolism , Estrogen Receptor alpha*/chemistry , Estrogen Receptor alpha*/antagonists & inhibitors , Antineoplastic Agents*/pharmacology , Antineoplastic Agents*/chemistry, Humans ; Molecular Dynamics Simulation ; Female ; MCF-7 Cells ; Network Pharmacology ; Protein Interaction Maps/drug effects

Structure-based design of a multi-epitope vaccine candidate against marburg virus using immunoinformatics and dynamics simulations.

Authors: Saadh MJ Muhammad FA Albadr RJ et al.

Source: Journal of molecular graphics & modelling [J Mol Graph Model] 2025 Dec; Vol. 141, pp. 109130. Date of Electronic Publication: 2025 Aug 05.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Science, Inc Country of Publication: United States NLM ID: 9716237 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-4243 (Electronic) Linking ISSN: 10933263 NLM ISO Abbreviation: J Mol Graph Model Subsets: MEDLINE

MeSH Terms: Molecular Dynamics Simulation* , Marburgvirus*/immunology , Viral Vaccines*/immunology , Viral Vaccines*/chemistry , Epitopes*/immunology , Epitopes*/chemistry , Computational Biology*/methods, Molecular Docking Simulation ; Humans ; Amino Acid Sequence ; Marburg Virus Disease/prevention & control ; Marburg Virus Disease/immunology ; Toll-Like Receptor 4/chemistry ; Toll-Like Receptor 4/immunology ; Epitopes, T-Lymphocyte/immunology ; Epitopes, T-Lymphocyte/chemistry ; Viral Envelope Proteins/immunology ; Viral Envelope Proteins/chemistry ; Immunoinformatics

Application of 5E teaching model combined with virtual endoscopic surgery simulation system in surgical teaching.

Authors: Zhao X Jing Z Zhang R et al.

Source: Computer assisted surgery (Abingdon, England) [Comput Assist Surg (Abingdon)] 2025 Dec; Vol. 30 (1), pp. 2576882. Date of Electronic Publication: 2025 Oct 25.

Publication Type: Journal Article; Randomized Controlled Trial

Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 101681550 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2469-9322 (Electronic) Linking ISSN: 24699322 NLM ISO Abbreviation: Comput Assist Surg (Abingdon) Subsets: MEDLINE

MeSH Terms: Endoscopy*/education , Simulation Training*/methods , General Surgery*/education, Humans ; Clinical Competence ; Male ; Female ; Internship and Residency/methods ; Adult ; Educational Measurement ; Computer Simulation

Transforming Dental Morphology Education: The Impact of Three-Dimensional Digital Simulation on Practical Skill Development.

Authors: Hsu MS Yeh CL Cheng SJ et al.

Source: International dental journal [Int Dent J] 2025 Dec; Vol. 75 (6), pp. 103904. Date of Electronic Publication: 2025 Sep 19.

Publication Type: Journal Article; Randomized Controlled Trial

Journal Info: Publisher: Elsevier Country of Publication: England NLM ID: 0374714 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1875-595X (Electronic) Linking ISSN: 00206539 NLM ISO Abbreviation: Int Dent J Subsets: MEDLINE

MeSH Terms: Education, Dental*/methods , Imaging, Three-Dimensional* , Clinical Competence* , Computer Simulation* , Models, Dental*, Humans ; Male ; Female ; Educational Measurement ; Computer-Assisted Instruction ; Simulation Training/methods

Exploring the mechanism of plasticizers action in liver damage based on network toxicology, molecular docking, and molecular dynamic simulation.

Authors: Feng C Chun L KeLei S et al.

Source: Scientific reports [Sci Rep] 2025 Nov 27; Vol. 15 (1), pp. 42333. Date of Electronic Publication: 2025 Nov 27.

Publication Type: Journal Article

Journal Info: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN: 2045-2322 (Electronic) Linking ISSN: 20452322 NLM ISO Abbreviation: Sci Rep Subsets: MEDLINE

MeSH Terms: Molecular Docking Simulation* , Plasticizers*/toxicity , Plasticizers*/chemistry , Liver*/drug effects , Liver*/metabolism , Liver*/pathology , Chemical and Drug Induced Liver Injury*/metabolism , Chemical and Drug Induced Liver Injury*/etiology , Chemical and Drug Induced Liver Injury*/pathology, Molecular Dynamics Simulation ; Humans ; Protein Interaction Maps/drug effects ; Phthalic Acids/toxicity ; Phthalic Acids/chemistry ; Signal Transduction/drug effects

Molecular docking, DFT calculation and molecular dynamics simulation of Triazine-based covalent organic framework as a nanocarrier for delivering anti-cancer drug.

Authors: Omidi M Soroushmanesh M Khodarahmi G et al.

Source: Scientific reports [Sci Rep] 2025 Nov 26; Vol. 15 (1), pp. 42098. Date of Electronic Publication: 2025 Nov 26.

Publication Type: Journal Article

Journal Info: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN: 2045-2322 (Electronic) Linking ISSN: 20452322 NLM ISO Abbreviation: Sci Rep Subsets: MEDLINE

MeSH Terms: Antineoplastic Agents*/chemistry , Antineoplastic Agents*/administration & dosage , Triazines*/chemistry , Molecular Docking Simulation* , Imatinib Mesylate*/chemistry , Drug Carriers*/chemistry , Metal-Organic Frameworks*/chemistry, Molecular Dynamics Simulation ; Density Functional Theory ; Humans ; Drug Delivery Systems

Molecular docking and dynamics simulation of antimicrobial peptides against adhesion proteins of peri-implant pathogens.

Authors: Sasany R Alizadeh A Mosaddad SA et al.

Source: Scientific reports [Sci Rep] 2025 Nov 20; Vol. 15 (1), pp. 41046. Date of Electronic Publication: 2025 Nov 20.

Publication Type: Journal Article

Journal Info: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN: 2045-2322 (Electronic) Linking ISSN: 20452322 NLM ISO Abbreviation: Sci Rep Subsets: MEDLINE

MeSH Terms: Molecular Docking Simulation* , Antimicrobial Peptides*/chemistry , Antimicrobial Peptides*/pharmacology , Adhesins, Bacterial*/chemistry , Adhesins, Bacterial*/metabolism , Antimicrobial Cationic Peptides*/chemistry , Antimicrobial Cationic Peptides*/pharmacology , Peri-Implantitis*/microbiology, Molecular Dynamics Simulation ; Porphyromonas gingivalis/drug effects ; Bacterial Adhesion/drug effects ; Biofilms/drug effects ; Cathelicidins ; Treponema denticola/drug effects ; Dental Implants/microbiology ; Humans

Identification of potential natural analgesic compounds through molecular docking-virtual screening, molecular dynamics simulation, MM/GBSA, DFT, and ADMET computations.

Authors: Hossaini Alhashemi S Zare F Sadeghian S et al.

Source: Scientific reports [Sci Rep] 2025 Nov 14; Vol. 15 (1), pp. 39995. Date of Electronic Publication: 2025 Nov 14.

Publication Type: Journal Article

Journal Info: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN: 2045-2322 (Electronic) Linking ISSN: 20452322 NLM ISO Abbreviation: Sci Rep Subsets: MEDLINE

MeSH Terms: Analgesics*/chemistry , Analgesics*/pharmacology , Analgesics*/pharmacokinetics , Molecular Docking Simulation*, Molecular Dynamics Simulation ; Cyclooxygenase 2/metabolism ; Cyclooxygenase 2/chemistry ; Quercetin/chemistry ; Humans ; Density Functional Theory ; Apigenin/chemistry ; Phytochemicals/chemistry ; Kaempferols/chemistry ; Plants, Medicinal/chemistry

Structure-based identification of novel FAK1 inhibitors using pharmacophore modeling, molecular dynamics, and MM/PBSA calculations.

Authors: Hajipasha A Cherati NG Darzi M et al.

Source: Scientific reports [Sci Rep] 2025 Nov 11; Vol. 15 (1), pp. 39506. Date of Electronic Publication: 2025 Nov 11.

Publication Type: Journal Article

Journal Info: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN: 2045-2322 (Electronic) Linking ISSN: 20452322 NLM ISO Abbreviation: Sci Rep Subsets: MEDLINE

MeSH Terms: Molecular Dynamics Simulation* , Protein Kinase Inhibitors*/chemistry , Protein Kinase Inhibitors*/pharmacology , Focal Adhesion Kinase 1*/antagonists & inhibitors , Focal Adhesion Kinase 1*/chemistry , Focal Adhesion Kinase 1*/metabolism, Molecular Docking Simulation ; Humans ; Protein Binding ; Ligands ; Binding Sites ; Pharmacophore

An investigation of fucoidan as a potential inhibitor against DENV/NS3 proteases through molecular dynamics simulations and DFT studies.

Authors: Ramalingam S Venkatraman A Muthumanickam S et al.

Source: Journal of molecular modeling [J Mol Model] 2025 Nov 06; Vol. 31 (12), pp. 321. Date of Electronic Publication: 2025 Nov 06.

Publication Type: Journal Article

Journal Info: Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet ISSN: 0948-5023 (Electronic) Linking ISSN: 09485023 NLM ISO Abbreviation: J Mol Model Subsets: MEDLINE

MeSH Terms: Polysaccharides*/chemistry , Polysaccharides*/pharmacology , Molecular Dynamics Simulation* , Viral Nonstructural Proteins*/antagonists & inhibitors , Viral Nonstructural Proteins*/chemistry , Dengue Virus*/drug effects , Dengue Virus*/enzymology , Antiviral Agents*/chemistry , Antiviral Agents*/pharmacology , Protease Inhibitors*/chemistry , Protease Inhibitors*/pharmacology , Serine Endopeptidases*/chemistry , Serine Endopeptidases*/metabolism, Molecular Docking Simulation ; Density Functional Theory ; Catalytic Domain ; Viral Proteases

Coupling Molecular and Cellular Dynamics in a Large-Scale Monte Carlo Simulation.

Authors: Chaiken J Ifrach A Sajman J et al.

Source: International journal of molecular sciences [Int J Mol Sci] 2025 Nov 05; Vol. 26 (21). Date of Electronic Publication: 2025 Nov 05.

Publication Type: Journal Article

Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067 (Electronic) Linking ISSN: 14220067 NLM ISO Abbreviation: Int J Mol Sci Subsets: MEDLINE

MeSH Terms: Monte Carlo Method* , Molecular Dynamics Simulation*, T-Lymphocytes/cytology ; T-Lymphocytes/metabolism ; Cell Membrane/metabolism ; Humans ; Models, Biological ; Computer Simulation ; Integrins/metabolism

Leveraging augmented reality for remote medical toxicology training using an observed clinical case-based simulation: a novel educational approach.

Authors: Ralph R Balachandran A Jambugulam M et al.

Source: Clinical toxicology (Philadelphia, Pa.) [Clin Toxicol (Phila)] 2025 Nov; Vol. 63 (11), pp. 887-896. Date of Electronic Publication: 2025 Sep 04.

Publication Type: Journal Article

Journal Info: Publisher: Informa Healthcare Country of Publication: England NLM ID: 101241654 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1556-9519 (Electronic) Linking ISSN: 15563650 NLM ISO Abbreviation: Clin Toxicol (Phila) Subsets: MEDLINE

MeSH Terms: Toxicology*/education , Augmented Reality* , Simulation Training*/methods , Education, Distance*/methods , Education, Medical*/methods, Humans ; India ; Students, Medical ; Male ; Internship and Residency ; Female ; Educational Measurement ; Clinical Competence ; Computer Simulation ; Adult

Design, synthesis, and evaluation of novel quinazoline derivatives as potent EGFR inhibitors: In silico and in vitro approaches.

Authors: Saadh MJ Saeed TN Alfarttoosi KH et al.

Source: Computers in biology and medicine [Comput Biol Med] 2025 Nov; Vol. 198 (Pt A), pp. 111204. Date of Electronic Publication: 2025 Oct 14.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Country of Publication: United States NLM ID: 1250250 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1879-0534 (Electronic) Linking ISSN: 00104825 NLM ISO Abbreviation: Comput Biol Med Subsets: MEDLINE

MeSH Terms: ErbB Receptors*/antagonists & inhibitors , ErbB Receptors*/chemistry , ErbB Receptors*/metabolism , Quinazolines*/chemistry , Quinazolines*/pharmacology , Quinazolines*/chemical synthesis , Protein Kinase Inhibitors*/chemistry , Protein Kinase Inhibitors*/pharmacology , Protein Kinase Inhibitors*/chemical synthesis , Molecular Docking Simulation* , Drug Design* , Antineoplastic Agents*/pharmacology , Antineoplastic Agents*/chemistry , Antineoplastic Agents*/chemical synthesis, Humans ; Molecular Dynamics Simulation ; Cell Line, Tumor ; Apoptosis/drug effects

Novel, multimodal, simulation practice with evolving case scenario for teaching familial communications in undergraduate medical training.

Authors: Ng IKS Goh WGW Tan LF et al.

Source: Medical teacher [Med Teach] 2025 Nov; Vol. 47 (11), pp. 1742-1744. Date of Electronic Publication: 2025 Mar 12.

Publication Type: Journal Article

Journal Info: Publisher: Informa Healthcare Country of Publication: England NLM ID: 7909593 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1466-187X (Electronic) Linking ISSN: 0142159X NLM ISO Abbreviation: Med Teach Subsets: MEDLINE

MeSH Terms: Education, Medical, Undergraduate*/methods , Education, Medical, Undergraduate*/organization & administration , Communication* , Simulation Training*/methods , Professional-Family Relations*, Humans ; Patient Simulation ; Curriculum ; Students, Medical/psychology ; Teaching

Triple-Action Therapy: Combining Machine Learning, Docking, and Dynamics to Combat BRCA1-Mutated Breast Cancer.

Authors: Zainulabidin AA Sufyan AJ Thirunavukkarasu MK

Source: Molecular biotechnology [Mol Biotechnol] 2025 Nov; Vol. 67 (11), pp. 4289-4304. Date of Electronic Publication: 2024 Nov 26.

Publication Type: Journal Article

Journal Info: Publisher: Springer Country of Publication: Switzerland NLM ID: 9423533 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1559-0305 (Electronic) Linking ISSN: 10736085 NLM ISO Abbreviation: Mol Biotechnol Subsets: MEDLINE

MeSH Terms: Machine Learning* , Molecular Docking Simulation* , BRCA1 Protein*/genetics , BRCA1 Protein*/chemistry , BRCA1 Protein*/antagonists & inhibitors , BRCA1 Protein*/metabolism , Breast Neoplasms*/genetics , Breast Neoplasms*/drug therapy , Antineoplastic Agents*/pharmacology , Antineoplastic Agents*/chemistry , Antineoplastic Agents*/therapeutic use, Humans ; Female ; Molecular Dynamics Simulation ; Mutation ; Ligands

Understanding the role of lignin peroxidase (LiP) from Phanerochaete chrysosporium for refinery wastewater remediation: Insights from molecular docking and simulation.

Authors: Negi BB Umesh Das C

Source: International journal of biological macromolecules [Int J Biol Macromol] 2025 Nov; Vol. 330 (Pt 2), pp. 148044. Date of Electronic Publication: 2025 Oct 01.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Country of Publication: Netherlands NLM ID: 7909578 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1879-0003 (Electronic) Linking ISSN: 01418130 NLM ISO Abbreviation: Int J Biol Macromol Subsets: MEDLINE

MeSH Terms: Phanerochaete*/enzymology , Molecular Docking Simulation* , Wastewater*/chemistry , Wastewater*/microbiology , Peroxidases*/chemistry , Peroxidases*/metabolism, Molecular Dynamics Simulation ; Biodegradation, Environmental ; Catalytic Domain ; Protein Binding