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1. 
Cover image for Deep eutectic solvents in liquid-liquid extraction : correlation and molecular dynamics simulation
Deep eutectic solvents in liquid-liquid extraction : correlation and molecular dynamics simulation
Author 
Naik, Papu Kumar, author. Kumar, Nikhil (Researcher in chemical engineering), author. Paul, Nabendu, author. Banerjee, Tamal, author.
Preferred Shelf Number 
TP247.5
Electronic Access 
Taylor & Francis https://www.taylorfrancis.com/books/9781003231158
OCLC metadata license agreement http://www.oclc.org/content/dam/oclc/forms/terms/vbrl-201703.pdf
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2. 
Cover image for Molecular dynamics simulation of nanostructured materials an understanding of mechanical behavior
Molecular dynamics simulation of nanostructured materials an understanding of mechanical behavior
Author 
Pal, Snehanshu. Ray, Bankim Chandra.
Preferred Shelf Number 
TA418.9 .N35
Electronic Access 
Taylor & Francis https://www.taylorfrancis.com/books/9780429019845
OCLC metadata license agreement http://www.oclc.org/content/dam/oclc/forms/terms/vbrl-201703.pdf
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3. 
Cover image for Introduction to practice of molecular simulation molecular dynamics, Monte Carlo, Brownian dynamics, Lattice Boltzmann, dissipative particle dynamics
Introduction to practice of molecular simulation molecular dynamics, Monte Carlo, Brownian dynamics, Lattice Boltzmann, dissipative particle dynamics
Author 
Satoh, Akira.
Preferred Shelf Number 
ONLINE
Electronic Access 
ScienceDirect http://www.sciencedirect.com/science/book/9780123851482
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4. 
Cover image for Moleküler Dinamik Simülasyon Metodu İle Bazı Peptitlerin İkincil Yapılarının İncelenmesi = Investigation of the Secondary Structures of Some Peptides by Molecular Dynamics Simulation Method
Moleküler Dinamik Simülasyon Metodu İle Bazı Peptitlerin İkincil Yapılarının İncelenmesi = Investigation of the Secondary Structures of Some Peptides by Molecular Dynamics Simulation Method
Author 
Oğuz, M.Erman.
Preferred Shelf Number 
TEZ 10143 .O38 2011
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5. 
Cover image for Investigation on conformational changes of slow and fast forms of thrombin by molecular dynamics simulation = Investigation on conformational changes of slow and fast forms of thrombin by molecular dynamics simulation
Investigation on conformational changes of slow and fast forms of thrombin by molecular dynamics simulation = Investigation on conformational changes of slow and fast forms of thrombin by molecular dynamics simulation
Author 
Kül, Özge. Science in Chemistry Thesis.
Preferred Shelf Number 
TEZ 9510 .K85 2009
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6. 
Cover image for Numerical Simulation in Molecular Dynamics Numerics, Algorithms, Parallelization, Applications
Numerical Simulation in Molecular Dynamics Numerics, Algorithms, Parallelization, Applications
Author 
Griebel, Michael. author. Zumbusch, Gerhard. author. Knapek, Stephan. author. SpringerLink (Online service)
Preferred Shelf Number 
ONLINE
Electronic Access 
http://dx.doi.org/10.1007/978-3-540-68095-6
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7. 
Cover image for Dynamics and transport in macromolecular networks : theory, modelling, and experiments
Dynamics and transport in macromolecular networks : theory, modelling, and experiments
Author 
YAN, L-T.
Preferred Shelf Number 
QH324.2 .D963 2024
Electronic Access 
https://onlinelibrary.wiley.com/doi/book/10.1002/9783527839568
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8. 
Cover image for Drug delivery systems using quantum computing
Drug delivery systems using quantum computing
Author 
Malviya, Rishabha, editor. Sundram, Sonali, editor. Meenakshi, Dhanalekshmi Unnikrishnan, editor.
Preferred Shelf Number 
RS199.5 .D78 2024
Electronic Access 
https://onlinelibrary.wiley.com/doi/book/10.1002/9781394159338
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9. 
Cover image for Computational Methods in Systems Biology 21st International Conference, CMSB 2023, Luxembourg City, Luxembourg, September 13-15, 2023, Proceedings
Computational Methods in Systems Biology 21st International Conference, CMSB 2023, Luxembourg City, Luxembourg, September 13-15, 2023, Proceedings
Author 
Pang, Jun. editor. Niehren, Joachim. editor. SpringerLink (Online service)
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ONLINE
Electronic Access 
https://doi.org/10.1007/978-3-031-42697-1
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10. 
Cover image for Drug Discovery and Design Using Natural Products
Drug Discovery and Design Using Natural Products
Author 
Cruz, Jorddy Neves. editor. SpringerLink (Online service)
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ONLINE
Electronic Access 
https://doi.org/10.1007/978-3-031-35205-8
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11. 
Cover image for High Performance Computing 38th International Conference, ISC High Performance 2023, Hamburg, Germany, May 21-25, 2023, Proceedings
High Performance Computing 38th International Conference, ISC High Performance 2023, Hamburg, Germany, May 21-25, 2023, Proceedings
Author 
Bhatele, Abhinav. editor. Hammond, Jeff. editor. Baboulin, Marc. editor. Kruse, Carola. editor. SpringerLink (Online service)
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ONLINE
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https://doi.org/10.1007/978-3-031-32041-5
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12. 
Cover image for Supercomputing 9th Russian Supercomputing Days, RuSCDays 2023, Moscow, Russia, September 25-26, 2023, Revised Selected Papers, Part II
Supercomputing 9th Russian Supercomputing Days, RuSCDays 2023, Moscow, Russia, September 25-26, 2023, Revised Selected Papers, Part II
Author 
Voevodin, Vladimir. editor. Sobolev, Sergey. editor. Yakobovskiy, Mikhail. editor. Shagaliev, Rashit. editor. SpringerLink (Online service)
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ONLINE
Electronic Access 
https://doi.org/10.1007/978-3-031-49435-2
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13. 
Cover image for Proceedings of I4SDG Workshop 2023 IFToMM for Sustainable Development Goals
Proceedings of I4SDG Workshop 2023 IFToMM for Sustainable Development Goals
Author 
Petuya, Victor. editor. Quaglia, Giuseppe. editor. (orcid)0000-0003-4951-9228 Parikyan, Tigran. editor. Carbone, Giuseppe. editor. (orcid)0000-0003-0831-8358 SpringerLink (Online service)
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ONLINE
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https://doi.org/10.1007/978-3-031-32439-0
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14. 
Cover image for Protein Folding Dynamics and Stability Experimental and Computational Methods
Protein Folding Dynamics and Stability Experimental and Computational Methods
Author 
Saudagar, Prakash. editor. Tripathi, Timir. editor. SpringerLink (Online service)
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ONLINE
Electronic Access 
https://doi.org/10.1007/978-981-99-2079-2
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15. 
Cover image for XLV Mexican Conference on Biomedical Engineering Proceedings of CNIB 2022, 6-8 October, Puerto Vallarta, México
XLV Mexican Conference on Biomedical Engineering Proceedings of CNIB 2022, 6-8 October, Puerto Vallarta, México
Author 
Trujillo-Romero, Citlalli Jessica. editor. Gonzalez-Landaeta, Rafael. editor. Chapa-González, Christian. editor. Dorantes-Méndez, Guadalupe. editor. Flores, Dora-Luz. editor.
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ONLINE
Electronic Access 
https://doi.org/10.1007/978-3-031-18256-3
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16. 
Cover image for The mathematical biology of diatoms
The mathematical biology of diatoms
Author 
Pappas, Janice L., editor.
Preferred Shelf Number 
QK569 .D54 M43 2023
Electronic Access 
https://onlinelibrary.wiley.com/doi/book/10.1002/9781119751939
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17. 
Cover image for Multiscale biomechanics : theory and applications
Multiscale biomechanics : theory and applications
Author 
Mohammadi, S. (Soheil), author.
Preferred Shelf Number 
QH513 .M642 2023
Electronic Access 
https://onlinelibrary.wiley.com/doi/book/10.1002/9781119033714
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18. 
Cover image for Cell-penetrating peptides : design, development and applications
Cell-penetrating peptides : design, development and applications
Author 
Oba, Makoto, editor. Demizu, Yosuke, editor.
Preferred Shelf Number 
QP552 .P4 C45 2023
Electronic Access 
https://onlinelibrary.wiley.com/doi/book/10.1002/9783527835997
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19. 
Cover image for Reviews in computational chemistry. Volume 32
Reviews in computational chemistry. Volume 32
Author 
Parill, Abby L., editor. Lipkowitz, Kenny B., editor.
Preferred Shelf Number 
QD39.3 .E46
Electronic Access 
https://onlinelibrary.wiley.com/doi/book/10.1002/9781119625933
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20. 
Cover image for Spectroscopy and characterization of nanomaterials and novel materials : experiments, modeling, simulations, and applications
Spectroscopy and characterization of nanomaterials and novel materials : experiments, modeling, simulations, and applications
Preferred Shelf Number 
TA418.9 .N35
Electronic Access 
https://onlinelibrary.wiley.com/doi/book/10.1002/9783527833689
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21. 
Cover image for Clathrate hydrates : molecular science and characterization
Clathrate hydrates : molecular science and characterization
Author 
Ripmeester, John A. Alavi, Saman.
Preferred Shelf Number 
QD474
Electronic Access 
https://onlinelibrary.wiley.com/doi/book/10.1002/9783527695058
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22. 
Cover image for Mechanics of particle- and fiber-reinforced polymer nanocomposites : from nanoscale to continuum simulations
Mechanics of particle- and fiber-reinforced polymer nanocomposites : from nanoscale to continuum simulations
Author 
Sharma, Sumit, 1985- author.
Preferred Shelf Number 
TA418.9 .N35 S477 2021
Electronic Access 
https://onlinelibrary.wiley.com/doi/book/10.1002/9781119653653
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23. 
Cover image for Molecular simulations : fundamentals and practice
Molecular simulations : fundamentals and practice
Author 
Alavi, Saman.
Preferred Shelf Number 
QC28
Electronic Access 
https://onlinelibrary.wiley.com/doi/book/10.1002/9783527699452
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24. 
Cover image for Modeling in membranes and membrane-based processes
Modeling in membranes and membrane-based processes
Author 
Roy, Anirban (Chemical engineer), editor. Moulik, Siddhartha, editor. Kamesh, Reddi, editor. Mullick, Aditi, editor.
Preferred Shelf Number 
TP159 .M4 M64 2020
Electronic Access 
https://onlinelibrary.wiley.com/doi/book/10.1002/9781119536260
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25. 
Cover image for Biomolecular simulations in structure-based drug discovery
Biomolecular simulations in structure-based drug discovery
Author 
Gervasio, Francesco L., editor. Spiwok, Vojtech, editor.
Preferred Shelf Number 
RM301.3 .G45
Electronic Access 
https://onlinelibrary.wiley.com/doi/book/10.1002/9783527806836
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26. 
Cover image for Molecular kinetics in condensed phases : theory, simulation, and analysis
Molecular kinetics in condensed phases : theory, simulation, and analysis
Author 
Elber, Ron, author. Makarov, Dmitrii E., author. Orland, Henri, author.
Preferred Shelf Number 
QD502
Electronic Access 
https://onlinelibrary.wiley.com/doi/book/10.1002/9781119176800
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27. 
Cover image for Materials Informatics : Methods, Tools, and Applications
Materials Informatics : Methods, Tools, and Applications
Author 
Isayev, Olexandr. Tropsha, Alex. Curtarolo, S. (Stefano)
Preferred Shelf Number 
QD905.2
Electronic Access 
https://onlinelibrary.wiley.com/doi/book/10.1002/9783527802265
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28. 
Cover image for Biomolecular and bioanalytical techniques : theory, methodology and applications
Biomolecular and bioanalytical techniques : theory, methodology and applications
Author 
Ramesh, Vasudevan, editor.
Preferred Shelf Number 
QH506 .B5534 2019
Electronic Access 
https://onlinelibrary.wiley.com/doi/book/10.1002/9781119483977
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29. 
Cover image for Friction at the atomic level : atomistic approaches in tribology
Friction at the atomic level : atomistic approaches in tribology
Author 
Hirano, Motohisa, author.
Preferred Shelf Number 
QC197
Electronic Access 
https://onlinelibrary.wiley.com/doi/book/10.1002/9783527664986
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30. 
Cover image for Supercomputing for Molecular Dynamics Simulations Handling Multi-Trillion Particles in Nanofluidics
Supercomputing for Molecular Dynamics Simulations Handling Multi-Trillion Particles in Nanofluidics
Author 
Heinecke, Alexander. author. Eckhardt, Wolfgang. author. Horsch, Martin. author. Bungartz, Hans-Joachim. author. SpringerLink (Online service)
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ONLINE
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https://doi.org/10.1007/978-3-319-17148-7
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31. 
Cover image for Bioinformatics and Biomedical Engineering Third International Conference, IWBBIO 2015, Granada, Spain, April 15-17, 2015. Proceedings, Part II
Bioinformatics and Biomedical Engineering Third International Conference, IWBBIO 2015, Granada, Spain, April 15-17, 2015. Proceedings, Part II
Author 
Ortuño, Francisco. editor. Rojas, Ignacio. editor. SpringerLink (Online service)
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ONLINE
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https://doi.org/10.1007/978-3-319-16480-9
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32. 
Cover image for High Performance Computing 30th International Conference, ISC High Performance 2015, Frankfurt, Germany, July 12-16, 2015, Proceedings
High Performance Computing 30th International Conference, ISC High Performance 2015, Frankfurt, Germany, July 12-16, 2015, Proceedings
Author 
Kunkel, Julian M. editor. Ludwig, Thomas. editor. SpringerLink (Online service)
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ONLINE
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https://doi.org/10.1007/978-3-319-20119-1
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33. 
Cover image for Artificial Intelligence and Soft Computing 14th International Conference, ICAISC 2015, Zakopane, Poland, June 14-18, 2015, Proceedings, Part II
Artificial Intelligence and Soft Computing 14th International Conference, ICAISC 2015, Zakopane, Poland, June 14-18, 2015, Proceedings, Part II
Author 
Rutkowski, Leszek. editor. Korytkowski, Marcin. editor. Scherer, Rafal. editor. Tadeusiewicz, Ryszard. editor. Zadeh, Lotfi A. editor.
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ONLINE
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https://doi.org/10.1007/978-3-319-19369-4
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34. 
Cover image for Biochemical Roles of Eukaryotic Cell Surface Macromolecules
Biochemical Roles of Eukaryotic Cell Surface Macromolecules
Author 
Chakrabarti, Abhijit. editor. Surolia, Avadhesha. editor. SpringerLink (Online service)
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https://doi.org/10.1007/978-3-319-11280-0
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35. 
Cover image for Nanoscale and Microscale Phenomena Fundamentals and Applications
Nanoscale and Microscale Phenomena Fundamentals and Applications
Author 
Joshi, Yogesh M. editor. Khandekar, Sameer. editor. SpringerLink (Online service)
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ONLINE
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https://doi.org/10.1007/978-81-322-2289-7
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36. 
Cover image for Molecular Modeling and Multiscaling Issues for Electronic Material Applications Volume 2
Molecular Modeling and Multiscaling Issues for Electronic Material Applications Volume 2
Author 
Wymyslowski, Artur. editor. Iwamoto, Nancy. editor. Yuen, Matthew. editor. Fan, Haibo. editor. SpringerLink (Online service)
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https://doi.org/10.1007/978-3-319-12862-7
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37. 
Cover image for Information Systems Design and Intelligent Applications Proceedings of Second International Conference INDIA 2015, Volume 2
Information Systems Design and Intelligent Applications Proceedings of Second International Conference INDIA 2015, Volume 2
Author 
Mandal, J. K. editor. Satapathy, Suresh Chandra. editor. Kumar Sanyal, Manas. editor. Sarkar, Partha Pratim. editor. Mukhopadhyay, Anirban. editor.
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https://doi.org/10.1007/978-81-322-2247-7
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38. 
Cover image for Nanoscale energy transport and harvesting : a computational study
Nanoscale energy transport and harvesting : a computational study
Author 
Zhang, Gang, editor.
Preferred Shelf Number 
TJ808 .N36 2015
Electronic Access 
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39. 
Cover image for Ultrafast infrared vibrational spectroscopy
Ultrafast infrared vibrational spectroscopy
Author 
Fayer, Michael D.
Preferred Shelf Number 
QD96 .I5 U485 2013
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40. 
Cover image for Handbook of micromechanics and nanomechanics
Handbook of micromechanics and nanomechanics
Author 
Li, Shaofan. Gao, Xin-Lin.
Preferred Shelf Number 
QC176.8 .M5 H36 2013
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41. 
Cover image for Concepts and methods in modern theoretical chemistry : statistical mechanics
Concepts and methods in modern theoretical chemistry : statistical mechanics
Author 
Ghosh, Swapan Kumar. Chattaraj, Pratim Kumar.
Preferred Shelf Number 
QD453.3 .C64 2013
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42. 
Cover image for Computational nanotechnology modeling and applications with MATLAB
Computational nanotechnology modeling and applications with MATLAB
Author 
Musa, Sarhan M.
Preferred Shelf Number 
T174.7 .C67 2012
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43. 
Cover image for Functional polymer blends : synthesis, properties, and performances
Functional polymer blends : synthesis, properties, and performances
Author 
Mittal, Vikas.
Preferred Shelf Number 
TP1087 .F86 2012
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44. 
Cover image for Molecular modeling for the design of novel performance chemicals and materials
Molecular modeling for the design of novel performance chemicals and materials
Author 
Rai, Beena.
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QD480 .M64 2012
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45. 
Cover image for Simulations in nanobiotechnology
Simulations in nanobiotechnology
Author 
Eom, Kilho.
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TP248.2 .S56 2012
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46. 
Cover image for Micro- and nanoscale phenomena in tribology
Micro- and nanoscale phenomena in tribology
Author 
Chung, Yip-wah, 1950-
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TJ1075 .M524 2012
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47. 
Cover image for Drug design strategies computational techniques and applications
Drug design strategies computational techniques and applications
Author 
Banting, Lee. Clark, Tim, 1949-
Preferred Shelf Number 
ONLINE(343041.1)
Electronic Access 
Royal Society of Chemistry http://dx.doi.org/10.1039/9781849733403
http://pubs.rsc.org/en/content/ebook/978-1-84973-167-6
http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=519356&authtype=uid&lang=de
Knovel http://app.knovel.com/hotlink/toc/id:kpDDSCTA01/drug-design-strategies
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48. 
Cover image for Multiscale modeling : from atoms to devices
Multiscale modeling : from atoms to devices
Author 
Derosa, Pedro. Cagin, Tahir.
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TA418.9 .N35 M85 2010
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49. 
Cover image for Proteins : energy, heat and signal flow
Proteins : energy, heat and signal flow
Author 
Leitner, David M., 1963- Straub, John Edward.
Preferred Shelf Number 
QP551.5 .P763 2010
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50. 
Cover image for Coarse-graining of condensed phase and biomolecular systems
Coarse-graining of condensed phase and biomolecular systems
Author 
Voth, Gregory A.
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QP517 .M65 C63 2009
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51. 
Cover image for Molecular aggregation structure analysis and molecular simulation of crystals and liquids
Molecular aggregation structure analysis and molecular simulation of crystals and liquids
Author 
Gavezzotti, Angelo.
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ONLINE
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Oxford scholarship online http://dx.doi.org/10.1093/acprof:oso/9780198570806.001.0001
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52. 
Cover image for Molecular and colloidal electro-optics
Molecular and colloidal electro-optics
Author 
Stoylov, S. P. Stoimenova, Mariyka V.
Preferred Shelf Number 
QD549 .M67 2006
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53. 
Cover image for Water properties of food, pharmaceutical, and biological materials
Water properties of food, pharmaceutical, and biological materials
Author 
Pilar Buera, Maria del.
Preferred Shelf Number 
TX553 .W3 W3685 2006
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54. 
Cover image for Adsorption and transport at the nanoscale
Adsorption and transport at the nanoscale
Author 
Quirke, N. (Nick)
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TA418.9 .P6 A356 2006
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55. 
Cover image for Simulation methods for polymers
Simulation methods for polymers
Author 
Kotelyanskii, Michael. Theodorou, Doros Nicolas.
Preferred Shelf Number 
QD381 .S557 2004
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56. 
Cover image for Computational biochemistry and biophysics
Computational biochemistry and biophysics
Author 
Becker, Oren M.
Preferred Shelf Number 
QP517 .M65 C645 2001
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