https://scholarworks.umass.edu/entities/publication/094b024b-ca27-47ce-8939-ab0ced908fe8
Molecular Modeling Of Proton Transfer Mechanisms, Energetics And Rates In Zeolites And Proton...
We have modeled proton transfer using quantum chemical methods in important catalytic material namely Zeolite and polymeric systems to design anhydrous proton...
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https://dechema.de/molmod2023.html
DECHEMA | International Workshop on Molecular Modeling and Simulation 2023
International Workshop on Molecular Modeling and Simulation, 2-3 March 2023, DECHEMA-Haus, Frankfurt am Main. The International MolMod Workshop is dedicated to...
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https://arts.units.it/handle/11368/2561149
Multiscale molecular modeling: a virtual microscope for material and life science
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https://ogst.ifpenergiesnouvelles.fr/fr/articles/ogst/abs/2006/04/ogst06016/ogst06016.html
Molecular Modeling and High-Throughput Experimentation (HTE): Meeting the Challenges of Catalysts,...
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https://trace.tennessee.edu/entities/publication/418960a7-1da0-470d-84ea-9244a3e3b3f1
Molecular Modeling at Interfaces: Phase Equilibria of Complex Fluids, and Mechanical Properties of...
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https://www.ua.pt/en/uc/13787
Molecular Modeling in Biomedicine - Universidade de Aveiro
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https://researchrepository.wvu.edu/etd/2075/
"Molecular modeling and experimental determination of the structure of " by Sue Ellen Heavner
Thermal denaturation, circular dichroism, and NMR have been used extensively in conformational studies of oligonucleotides. Molecular modeling has become a...
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https://pure.cardiffmet.ac.uk/en/publications/molecular-modeling-of-unusual-spiral-structure-in-elastomeric-whe/
Molecular modeling of unusual spiral structure in elastomeric wheat seed protein - Cardiff...
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https://research.knu.ac.kr/en/publications/functional-characterization-and-molecular-modeling-of-methylcatec/
Functional characterization and molecular modeling of methylcatechol 2,3-dioxygenase from...
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https://pubmed.ncbi.nlm.nih.gov/40836204/?dopt=Abstract
Integrating network pharmacology and molecular modeling to decipher the anti-esophageal squamous...
The online version contains supplementary material available at 10.1007/s12672-025-03441-y.
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https://experts.boisestate.edu/en/publications/open-source-molecular-modeling-software-in-chemical-engineering-f/
Open-Source Molecular Modeling Software in Chemical Engineering Focusing on the Molecular...
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Software for Molecular Modeling
Software for computer aided molecular modeling, molecular dynamic simulations and design. Molecular building, editing, molecular mechanics. Force Field...
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https://polbase.neb.com/references/6010
Polbase - Reference: Molecular modeling and functional characterization of the monomeric...
Molecular modeling and functional characterization of the monomeric primase-polymerase domain from the Sulfolobus solfataricus plasmid pIT3.
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https://acikerisim.fbu.edu.tr/entities/publication/dfdd0d59-f2f8-453c-854f-e5c02ca2b408
Synthesis, Antimicrobial Evaluation and Molecular Modeling Studies of Novel...
The development of novel antimicrobial agents is critical to combat life-threatening drug-resistant bacterial and fungal pathogens. In the present study, a new...
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https://db.cngb.org/data_resources/literature/18808203
Molecular modeling and characterization of the B. thuringiensis and B. thuringiensis LDC-9...
The Cyt toxins are able to lyse a wide range of cell types in vitro, unlike the Cry delta-endotoxins. It exerts its activity by the formation of pores within...
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https://mmdd.iit.it/
Home - Molecular Modeling and Drug Discovery - IIT
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https://simplaix-workshop2026.h-its.org/
4th SIMPLAIX Workshop on Machine Learning for Multiscale Molecular Modeling
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https://okoole.com/
Okoole - Modern Molecular Modeling & Simulations Platform | Okoole
Modern molecular modeling and simulations platform. Advanced computational chemistry tools accessible to every researcher. Transform your research with...
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https://engineering.buffalo.edu/chemical-biological/research/research-areas-and-projects/computational-science-and-engineering.host.html/content/shared/engineering/chemical-biological/Research/research-projects/jeffrey-errington/molecular-modeling-wastewater-cleanup.detail.html
Molecular Modeling of Polymer Membranes for Wastewater Cleanup - Chemical and Biological...
Research in Computational Science and Engineering focuses on thermodynamic behavior, fluid dynamics, reaction mechanisms (both biological and chemical),...
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https://www.nanogune.eu/eu/ikerketa/theory/argitalpenak/aldizkaria/9687-journal-molecular-modeling
Aldizkaria - Journal Of Molecular Modeling | CIC nanoGUNE
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https://repositori.urv.cat/estatic/TDX0011/en_TDX333.html
Molecular Modeling of Self-Assembling Hybrid Materials
Surfactants are amphiphilic molecules with a solvophilic head and a solvophobic tail. When the surfactant concentration in a given solution is high enough, the...
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https://www.kth.se/social/course/BB2280/calendar/
Schedule for Molecular Modeling (BB2280) | KTH
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https://digitalcommons.njit.edu/fac_pubs/4072/
"Elastic properties of confined fluids from molecular modeling to ultra" by Christopher D....
Fluids confined in nanopores are ubiquitous in nature and technology. In recent years, the interest in confined fluids has grown, driven by research on...
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https://www.schrodinger.com/life-science/resources/webinar/educators-week-leveraging-molecular-modeling-skills-on-your-graduate-school-applications-panel/
Educator's Week | Leveraging Molecular Modeling Skills on Your Graduate School Applications Panel -...
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https://researcher.manipal.edu/en/publications/molecular-modeling-and-in-vitro-studies-to-assess-solubility-enha/
Molecular modeling and in vitro studies to assess solubility enhancement of nevirapine by solid...
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https://edubirdie.com/docs/santa-ana-college/chem-219-general-chemistry/135618-vsepr-and-molecular-modeling-lab
VSEPR and Molecular Modeling Lab | Santa Ana College - Edubirdie
Understanding VSEPR and Molecular Modeling Lab better is easy with our detailed Lab and helpful study notes.
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https://www.openaccessjournals.com/peer-reviewed-articles/molecular-modeling-journals-list-5982.html
Molecular Modeling Journals List | Peer Reviewed Articles | 5982
nbsp; Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules.The methods are u..5982
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https://research.ajman.ac.ae/en/publications/molecular-modeling-analyses-for-electronic-properties-of-cnttiosu/
Molecular modeling analyses for electronic properties of CNT/TiO2 nanocomposites - Ajman...
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https://www.iris.unicz.it/handle/20.500.12317/22322
Innovative Molecular Modeling Approaches in Medicinal Chemistry
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https://www.plastmagazine.it/tag/deep-molecular-modeling/
Deep Molecular Modeling Archives - Plastmagazine
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https://www.rroij.com/open-access/prodrug-design-molecular-modeling-and-drug-transport.php?aid=95779
Prodrug Design, Molecular Modeling, and Drug Transport | Open Access Journals
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https://iris.sissa.it/rm/popup/rmItem/journal/crisId/journal27022/detail.htm
JOURNAL OF MOLECULAR MODELING Dettaglio
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https://unige.iris.cineca.it/handle/11567/934565
Antioxidant Activity of an Industrial Cupuassu Seed By-product: Molecular Modeling of Phenolic...
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https://publications.hse.ru/articles/894944724
Can Modern Molecular Modeling Methods Help Find the Area of Potential Vulnerability of Flaviviruses?
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https://aquila.usm.edu/dissertations/1088/
"Application of Molecular Modeling in the Noncovalent Dispersion of Car" by Praveen Kumar Madasu
Molecular modeling is a powerful tool to better understand the intermolecular interactions of carbon nanostructures. It provides structures and energies not...
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Molecular modeling consulting
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Molecular modeling software
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https://www.mdpi.com/1422-0067/21/23/9074
Synthesis, Molecular Modeling and Biological Evaluation of Metabolically Stable Analogues of the...
Palmitoylethanolamide (PEA) belongs to the class of N-acylethanolamine and is an endogenous lipid potentially useful in a wide range of therapeutic areas;...
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Home - AlphaPerrin Computational molecular modeling platform
Apr 3, 2026 - AlphaPerrin Computational chemistry platform offers users private in silico molecular modeling software for drug development, educational studies and more.
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https://pure.kfupm.edu.sa/en/publications/molecular-modeling-for-corrosion-inhibitor-design/
Molecular Modeling for Corrosion Inhibitor Design - King Fahd University of Petroleum & Minerals
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https://jettystudy.com/questionpaper/molecular-modeling-and-pharmacoinformatics-msc-bioinformatics-4th-sem-previous-year-question-paper-2023.3984.html
Molecular Modeling And Pharmacoinformatics (M.Sc. Bioinformatics) 4th Sem Previous Year Question...
Molecular Modeling And Pharmacoinformatics (M.Sc. Bioinformatics) 4th Semester Previous Year Panjab University Chandigarh Question Paper 2023
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https://research.mpu.edu.mo/en/publications/molecular-modeling-study-on-the-resistance-mechanism-of-hcv-ns34a/
Molecular modeling study on the resistance mechanism of HCV NS3/4A serine protease mutants R155K,...
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https://www.ijpsonline.com/abstract/molecular-modeling-for-the-interaction-between-certain-drugs-with-betacyclodextrin-1495.html
Molecular Modeling For The Interaction Between Certain Drugs | 1495
A bi-monthly Journal, which publishes original research works that contributes significantly to further the scientific knowledge in Pharmaceutical Sciences
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https://repository.um-surabaya.ac.id/id/eprint/2881/
Molecular Modeling for Revealing Cross-Reaction Antibody with Staphylococcus Aureus and Human...
Repositori Universitas Muhammadiyah Surabaya. Pusat akses terbuka untuk seluruh karya ilmiah, penelitian, skripsi, tesis, dan publikasi dari sivitas akademika...
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https://mce.su/eng/archive/abstracts/mce25/sect220405/doc303517/
Molecular modeling of mechanism of antibiotics hydrolysis by metallo-beta- lactamases
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https://www.ipam.ucla.edu/programs/workshops/workshop-iv-systems-biology-and-molecular-modeling/?tab=speaker-list
Workshop IV: Systems Biology and Molecular Modeling - IPAM
Jul 28, 2014 - Workshop IV: Systems Biology and Molecular Modeling (Speaker-list) - IPAM
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https://dspace.uohyd.ac.in/items/2071984b-265d-4dfa-a3ea-1489fc62709c
Prediction and molecular modeling of t-cell epitopes derived from placental alkaline phosphatase...
In our ongoing efforts to combat cancer, peptide-based tumor vaccines are promising as one of the several alternatives used for cancer immunotherapy and...
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https://github.com/aclyde11/RLMM
GitHub - aclyde11/RLMM: RLMM is a reinforcement learning env for molecular modeling (currently only...
RLMM is a reinforcement learning env for molecular modeling (currently only protein-ligand docking). - aclyde11/RLMM
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https://repository.gatech.edu/entities/publication/c43b1863-893e-4aad-88cf-2c37bdd095f6
Novel efficient simulation techniques for use in molecular modeling
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https://glycam.org/
GLYCAM-Web | Utilities for molecular modeling of carbohydrates
Utilities for molecular modeling of carbohydrates.
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https://publications-cnrc.canada.ca/eng/view/object/?id=4cc4c15c-b121-41a2-98a2-bda1999e73a2
Molecular modeling of biomolecules and solutions in nanoporous materials - NRC Publications Archive...
Molecular modeling of biomolecules and solutions in nanoporous materials
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https://www.imechanica.org/taxonomy/term/4863
Molecular Modeling | iMechanica
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https://www.alliedacademies.org/abstract/design-and-application-of-molecular-modeling-to-drug-discovery-23268.html
Design and application of molecular modeling to drug discovery. | Abstract
Large-scale molecular modeling-simulation of biomolecules and bio macromolecules is an interesting and rapidly developing field that is increasingly c..
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https://pharmacyfreak.com/molecular-modeling-and-docking-quiz-computer-aided-drug-design/
Molecular Modeling and Docking Quiz | Computer Aided Drug Design
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https://www.ks.uiuc.edu/Training/Workshop/GPU_Aug2010/lectures.html
GPU Programming for Molecular Modeling Workshop
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https://www.rcsb.org/structure/4TIM
RCSB PDB - 4TIM: CRYSTALLOGRAPHIC AND MOLECULAR MODELING STUDIES ON TRYPANOSOMAL TRIOSEPHOSPHATE...
CRYSTALLOGRAPHIC AND MOLECULAR MODELING STUDIES ON TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE: A CRITICAL ASSESSMENT OF THE PREDICTED AND OBSERVED STRUCTURES OF...
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https://chem.libretexts.org/Courses/University_of_California_Davis/Chem_8A%3A_Organic_Chemistry_-_Brief_Course_(Franz)/1%3A_Chapters/11%3A_The_Organic_Chemistry_of_Drugs-_Discovery_and_Design/11.08%3A_Molecular_Modeling
11.8: Molecular Modeling - Chemistry LibreTexts
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https://researchexperts.utmb.edu/en/publications/synthesis-molecular-modeling-and-biological-studies-of-novel-pipe/
Synthesis, molecular modeling, and biological studies of novel piperidine-based analogues of...
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https://buescholar.bue.edu.eg/nanotech_research_centre/134/
"Molecular modeling analyses of functionalized cellulose" by islam gomaa
By islam gomaa, Published on 11/12/24
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https://www.businessminutes.in/2025/09/tnau-organized-hands-training-on-molecular-modeling-docking-and-simulation.html
TNAU Organized Hands training on Molecular Modeling, Docking and Simulation
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https://research-hub.nlr.gov/en/publications/molecular-dynamics-modeling-of-heat-transport-in-metals-and-semic-4/
Molecular Dynamics Modeling of Heat Transport in Metals and Semiconductors: Paper No. IHTC14-23314...
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https://www.simulations-plus.com/resource/combination-pharmacophore-modeling-molecular-docking-virtual-screening-p2y12-receptor-antagonists-chinese-herbs/
A combination of pharmacophore modeling, molecular docking, and virtual screening for P2Y12...
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https://mgm.ku.edu/
Molecular Graphics and Modeling Laboratory | Molecular Graphics and Modeling Laboratory
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https://www.catalyzex.com/paper/3d-molt5-towards-unified-3d-molecule-text
3D-MolT5: Towards Unified 3D Molecule-Text Modeling with 3D Molecular Tokenization
3D-MolT5: Towards Unified 3D Molecule-Text Modeling with 3D Molecular Tokenization: Paper and Code. The integration of molecule and language has garnered...
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https://pure.psu.edu/en/publications/boolean-networks-in-inference-and-dynamic-modeling-of-biological-/
Boolean networks in inference and dynamic modeling of biological systems at the molecular and...
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https://www.homesciencetools.com/product/molecular-model-set-student/?aff=21
Molecular Model Set | Molecular Modeling Kit | Home Science Tools
Better understand the structure of molecules with the Molecular Model Set for HST. This molecular modeling kit is just right for individual students.
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https://mgms-ds.de/
Molecular Graphics and Modeling Society - Deutschsprachige Sektion
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