Log in

Relevant bibliographies by topics / Molecular modeling / Journal articles

Journal articles on the topic 'Molecular modeling'

To see the other types of publications on this topic, follow the link: Molecular modeling.

Author: Grafiati

Published: 4 June 2021

Last updated: 14 September 2024

Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles

Select a source type:

Consult the top 50 journal articles for your research on the topic 'Molecular modeling.'

Next to every source in the list of references, there is an 'Add to bibliography' button. Press on it, and we will generate automatically the bibliographic reference to the chosen work in the citation style you need: APA, MLA, Harvard, Chicago, Vancouver, etc.

You can also download the full text of the academic publication as pdf and read online its abstract whenever available in the metadata.

Browse journal articles on a wide variety of disciplines and organise your bibliography correctly.

1

Gupta, Himanshu, and Aarti Sharma. "Molecular modeling." Journal of Pharmacy And Bioallied Sciences 1, no. 1 (2009): 16. http://dx.doi.org/10.4103/0975-7406.62681.

Full text

APA, Harvard, Vancouver, ISO, and other styles

2

Kollman, P. "Molecular Modeling." Annual Review of Physical Chemistry 38, no. 1 (October 1987): 303–16. http://dx.doi.org/10.1146/annurev.pc.38.100187.001511.

Full text

APA, Harvard, Vancouver, ISO, and other styles

3

Holmes, Jon L. "Molecular Modeling." Journal of Chemical Education 76, no. 6 (June 1999): 871. http://dx.doi.org/10.1021/ed076p871.

Full text

APA, Harvard, Vancouver, ISO, and other styles

4

Broughton, Howard B. "Molecular modeling." Current Opinion in Chemical Biology 1, no. 3 (October 1997): 392–98. http://dx.doi.org/10.1016/s1367-5931(97)80079-8.

Full text

APA, Harvard, Vancouver, ISO, and other styles

5

Bharat Kumar S. Ankalagi, Nagaraj Gangadhar Hanshul, Ramprasad H., Sudeep Shetty, Tejaswi M.N., Dr. Sindhu Sree M., Dr. Pavithra G, and Dr. T.C.Manjunath. "Molecular Modeling." international journal of engineering technology and management sciences 7, no. 3 (2023): 454–58. http://dx.doi.org/10.46647/ijetms.2023.v07i03.60.

Full text

Abstract:

In this paper, the modelling of molecule is presented. Chemistry, as the central science, utilizes models in virtually every aspect of the discipline. Integral to the progress of chemistry has been its ability to draw from physics, mathematics, statistics, and computer science to develop new sub disciplines, such as computational chemistry. As computing hardware has become faster and more accessible, so to have techniques to perform modelling and simulations of molecular systems. Software systems today assist researchers in the study of molecular systems and provide mechanisms for deriving a rigorous and consistent explanation for the chemical or biological behaviour observed or help the researcher to develop a model for predictions. Molecular modelling is a field that encompasses a wide range of theoretical and computational methods used to represent the structure and behavior of molecules, ions, and particles. These models can be classified based on their length and time scales, ranging from electronic-level models to continuous-level models. One of the main applications of molecular modelling is in drug discovery, where it can be used to predict the activity and behavior of molecules in the body, aiding in the design of new drugs. Additionally, molecular modelling plays a crucial role in materials science, where it can be used to design new materials with specific properties, such as strength, flexibility, and conductivity. With advances in computing hardware and software, molecular modelling has become an increasingly powerful tool in the fields of chemistry, physics, biology, and materials science, allowing researchers to gain a deeper understanding of the behavior of molecules and particles at the molecular level. The work done & presented in this paper is the result of the mini-project work that has been done by the first sem engineering students of the college and as such there is little novelty in it and the references are being taken from various sources from the internet, the paper is being written by the students to test their writing skills in the starting of their engineering career and also to test the presentation skills during their mini-project presentation. The work done & presented in this paper is the report of the assignment / alternate assessment tool as a part and parcel of the academic assignment of the first year subject on nanotechnology & IoT.

APA, Harvard, Vancouver, ISO, and other styles

6

Jülicher, Frank, Armand Ajdari, and Jacques Prost. "Modeling molecular motors." Reviews of Modern Physics 69, no. 4 (October 1, 1997): 1269–82. http://dx.doi.org/10.1103/revmodphys.69.1269.

Full text

APA, Harvard, Vancouver, ISO, and other styles

7

Stewart, Sharon D. "Computer generated molecular modeling." SIMULATION 47, no. 1 (July 1986): 18–23. http://dx.doi.org/10.1177/003754978604700104.

Full text

APA, Harvard, Vancouver, ISO, and other styles

8

Hastings, Michael. "Modeling the Molecular Calendar." Journal of Biological Rhythms 16, no. 2 (April 2001): 117–23. http://dx.doi.org/10.1177/074873001129001818.

Full text

APA, Harvard, Vancouver, ISO, and other styles

9

Gabriel, Jerome L., and J. Kenneth Hoober. "Molecular modeling of phytochrome." Journal of Theoretical Biology 151, no. 4 (August 1991): 541–56. http://dx.doi.org/10.1016/s0022-5193(05)80369-8.

Full text

APA, Harvard, Vancouver, ISO, and other styles

10

Duca, J. S., and A. J. Hopfinger. "Molecular modeling of polymers." Computational and Theoretical Polymer Science 9, no. 3-4 (December 1999): 227–44. http://dx.doi.org/10.1016/s1089-3156(99)00009-4.

Full text

APA, Harvard, Vancouver, ISO, and other styles

11

White, DavidN J., J. Noel Ruddock, PaulR Edgington, and GuyH Grant. "Molecular modeling with transputers." Journal of Molecular Graphics 7, no. 3 (September 1989): 172. http://dx.doi.org/10.1016/0263-7855(89)80026-8.

Full text

APA, Harvard, Vancouver, ISO, and other styles

12

Karney, Charles F. F. "Quaternions in molecular modeling." Journal of Molecular Graphics and Modelling 25, no. 5 (January 2007): 595–604. http://dx.doi.org/10.1016/j.jmgm.2006.04.002.

Full text

APA, Harvard, Vancouver, ISO, and other styles

13

Pirhadi, Somayeh, Jocelyn Sunseri, and David Ryan Koes. "Open source molecular modeling." Journal of Molecular Graphics and Modelling 69 (September 2016): 127–43. http://dx.doi.org/10.1016/j.jmgm.2016.07.008.

Full text

APA, Harvard, Vancouver, ISO, and other styles

14

Milne, G. W. A., M. C. Nicklaus, and M. Hodošček. "Molecular modeling in solvent." Journal of Molecular Structure 291, no. 1 (January 1993): 89–103. http://dx.doi.org/10.1016/0022-2860(93)80255-t.

Full text

APA, Harvard, Vancouver, ISO, and other styles

15

Horn, Anselm. "Molecular‐Modelling‐Workshop in Erlangen." Nachrichten aus der Chemie 72, no. 7-8 (July 2024): 89. http://dx.doi.org/10.1002/nadc.20244143957.

Full text

Abstract:

AbstractDer 36. Molecular Modelling Workshop (MMWS) der Molecular Graphics and Modeling Society – Deutschsprachige Sektion (MGMS‐DS) fand wie seit mehr als 15 Jahren in Erlangen statt. Zu der dreitägigen Veranstaltung Mitte März trafen sich etwa 80 Menschen von Universitäten und Unternehmen aus dem In‐ und Ausland.

APA, Harvard, Vancouver, ISO, and other styles

16

Raksha, Elena, Aleksandr Eresko, Yuliya Berestneva, Aleksey Muratov, and Gennadiy Zaikov. "Molecular Modeling of the 2-(Pyridin-2-Yl)-1H-Benzimidazole Intramolecular Dynamics." Vestnik Volgogradskogo gosudarstvennogo universiteta. Serija 10. Innovatcionnaia deiatel’nost’, no. 4 (December 2015): 33–39. http://dx.doi.org/10.15688/jvolsu10.2015.4.5.

Full text

APA, Harvard, Vancouver, ISO, and other styles

17

Weiss, Horst, and Peter Deglmann. "Needs and Opportunities - Molecular Modeling Meets Polymer Process Modeling." Macromolecular Symposia 302, no. 1 (March 31, 2011): 6–15. http://dx.doi.org/10.1002/masy.201000065.

Full text

APA, Harvard, Vancouver, ISO, and other styles

18

Ranganathan, Shoba. "Molecular Modeling on the Web." BioTechniques 30, no. 1 (January 2001): 50–52. http://dx.doi.org/10.2144/01301ir01.

Full text

APA, Harvard, Vancouver, ISO, and other styles

19

Wade, Rebecca, and Outi Salo-Ahen. "Molecular Modeling in Drug Design." Molecules 24, no. 2 (January 17, 2019): 321. http://dx.doi.org/10.3390/molecules24020321.

Full text

Abstract:

This Special Issue contains thirteen articles that provide a vivid snapshot of the state-of-the-art of molecular modeling in drug design, illustrating recent advances and critically discussing important challenges [...]

APA, Harvard, Vancouver, ISO, and other styles

20

Lushchekina, S., H. Delacour, O. Lockridge, and P. Masson. "Human butyrylcholinesterase polymorphism: Molecular modeling." International Journal of Risk & Safety in Medicine 27, s1 (November 27, 2015): S80—S81. http://dx.doi.org/10.3233/jrs-150699.

Full text

APA, Harvard, Vancouver, ISO, and other styles

21

Asing, Md Eaqub Ali, and Sharifah Bee Abd Hamid. "SERS-Modeling in Molecular Sensing." Advanced Materials Research 1109 (June 2015): 223–26. http://dx.doi.org/10.4028/www.scientific.net/amr.1109.223.

Full text

Abstract:

Surface enhanced Raman spectroscopy (SERS) is an ultrasensitive vibrational spectroscopic technique that useful tools in detecting biomolecules at near or on the surface of plasmonic nanostructures. Unique physicochemical and optical properties of noble metal nanostructures allow the assimilation of biomolecular probes and exhibit distinctive spectra, prompting the development of a plethora of biosensing platforms in molecular diagnostics. In SERS biosensor, signal to noise ration such as recognition and transducer elements that provide fingerprint spectrum at the lower limit of detection with specific binding or hybridized event, increasing reliability and sensitivity. Since the localized surface plasmon resonance (LSPR) of nanoparticle lies at the heart of SERS. It is essential to control all of the LSPR influencing factors in highly sensitivity signal strength that ensures reproducibility of SERS signals. SERS active substrates, transducer elements, metal surfaces modification, interparticle spacing, dielectric environment and selection of biorecognition molecules contribute in SERS signal strength. Modified metal structure with bioprobe and Raman reporter molecules provides a strong signature fingerprints that surely contribute to noble biosensor structural designing. We reviewed here ideal fabrication of nanostructure for SERS application in molecular sensing research fields.

APA, Harvard, Vancouver, ISO, and other styles

22

Adelusi, Temitope Isaac, Abdul-Quddus Kehinde Oyedele, Ibrahim Damilare Boyenle, Abdeen Tunde Ogunlana, Rofiat Oluwabusola Adeyemi, Chiamaka Divine Ukachi, Mukhtar Oluwaseun Idris, et al. "Molecular modeling in drug discovery." Informatics in Medicine Unlocked 29 (2022): 100880. http://dx.doi.org/10.1016/j.imu.2022.100880.

Full text

APA, Harvard, Vancouver, ISO, and other styles

23

Hongmao Sun and David Fry. "Molecular Modeling of Melanocortin Receptors." Current Topics in Medicinal Chemistry 7, no. 11 (June 1, 2007): 1042–51. http://dx.doi.org/10.2174/156802607780906573.

Full text

APA, Harvard, Vancouver, ISO, and other styles

24

Darden, T. A., and L. G. Pedersen. "Molecular modeling: an experimental tool." Environmental Health Perspectives 101, no. 5 (October 1993): 410–12. http://dx.doi.org/10.1289/ehp.93101410.

Full text

APA, Harvard, Vancouver, ISO, and other styles

25

Ibrahim, Medhat, and Hanan Elhaes. "Exploring Materials: Molecular Modeling Approach." Reviews in Theoretical Science 1, no. 3 (December 1, 2013): 368–76. http://dx.doi.org/10.1166/rits.2013.1012.

Full text

APA, Harvard, Vancouver, ISO, and other styles

26

Hauk, A., and K. ‐W Schramm. "Molecular modeling in environmental science∗." Toxicological & Environmental Chemistry 26, no. 1-4 (March 1990): 45–54. http://dx.doi.org/10.1080/02772249009357531.

Full text

APA, Harvard, Vancouver, ISO, and other styles

27

Raabe, Gabriele. "Molecular Modeling of Fluoropropene Refrigerants." Journal of Physical Chemistry B 116, no. 19 (May 4, 2012): 5744–51. http://dx.doi.org/10.1021/jp300991t.

Full text

APA, Harvard, Vancouver, ISO, and other styles

28

Yan, Zhen Yi, Stephen D. Huhn, Lawrence P. Klemann, and Michael S. Otterburn. "Molecular modeling studies of triacylglycerols." Journal of Agricultural and Food Chemistry 42, no. 2 (February 1994): 447–52. http://dx.doi.org/10.1021/jf00038a039.

Full text

APA, Harvard, Vancouver, ISO, and other styles

29

Cundari, Thomas R., Laura L. Sisterhen, and Chryssanthi Stylianopoulos. "Molecular Modeling of Vanadium Peroxides." Inorganic Chemistry 36, no. 18 (August 1997): 4029–34. http://dx.doi.org/10.1021/ic970266f.

Full text

APA, Harvard, Vancouver, ISO, and other styles

30

Cundari, Thomas R., Laura L. Sisterhen, and Chryssanthi Stylianopoulos. "Molecular Modeling of Vanadium Peroxides." Inorganic Chemistry 36, no. 25 (December 1997): 5972. http://dx.doi.org/10.1021/ic971287c.

Full text

APA, Harvard, Vancouver, ISO, and other styles

31

Gavalda, Sandra, Katsumi Kaneko, Kendall T. Thomson, and Keith E. Gubbins. "Molecular modeling of carbon aerogels." Colloids and Surfaces A: Physicochemical and Engineering Aspects 187-188 (August 2001): 531–38. http://dx.doi.org/10.1016/s0927-7757(01)00641-0.

Full text

APA, Harvard, Vancouver, ISO, and other styles

32

Moulabbi, M., H. Broch, L. Robert, and D. Vasilescu. "Quantum molecular modeling of hyaluronan." Journal of Molecular Structure: THEOCHEM 395-396 (May 1997): 477–508. http://dx.doi.org/10.1016/s0166-1280(97)00021-3.

Full text

APA, Harvard, Vancouver, ISO, and other styles

33

Vasilescu, D., and H. Broch. "Quantum molecular modeling of melatonin." Journal of Molecular Structure: THEOCHEM 460, no. 1-3 (February 1999): 191–205. http://dx.doi.org/10.1016/s0166-1280(98)00317-0.

Full text

APA, Harvard, Vancouver, ISO, and other styles

34

Luo, Sheng-Nian, Tahir Çaǧin, Alejandro Strachan, William A. Goddard, and Thomas J. Ahrens. "Molecular dynamics modeling of stishovite." Earth and Planetary Science Letters 202, no. 1 (August 2002): 147–57. http://dx.doi.org/10.1016/s0012-821x(02)00749-5.

Full text

APA, Harvard, Vancouver, ISO, and other styles

35

Immirzi, Attilio. "Analytical Algorithm for Molecular Modeling." Journal of Chemical Information and Modeling 47, no. 6 (October 31, 2007): 2263–65. http://dx.doi.org/10.1021/ci700225x.

Full text

APA, Harvard, Vancouver, ISO, and other styles

36

Virovets, Alexander V. "Molecular Modeling Applications in Crystallization." Materials Research Bulletin 35, no. 4 (March 2000): 649–50. http://dx.doi.org/10.1016/s0025-5408(00)00241-5.

Full text

APA, Harvard, Vancouver, ISO, and other styles

37

Abraham, R. J., and G. H. Grant. "Molecular modeling of silicon compounds." Journal of Molecular Graphics 6, no. 4 (December 1988): 217. http://dx.doi.org/10.1016/s0263-7855(98)80025-8.

Full text

APA, Harvard, Vancouver, ISO, and other styles

38

Elbaum, Daniel, and Stuart L. Schreiber. "Neocarzinostatin activation: molecular modeling revisited." Bioorganic & Medicinal Chemistry Letters 4, no. 2 (January 1994): 309–14. http://dx.doi.org/10.1016/s0960-894x(01)80134-7.

Full text

APA, Harvard, Vancouver, ISO, and other styles

39

Bacsa, John, and Jan C. A. Boeyens. "Molecular modeling of dimetal systems." Journal of Organometallic Chemistry 596, no. 1-2 (February 2000): 159–64. http://dx.doi.org/10.1016/s0022-328x(99)00644-0.

Full text

APA, Harvard, Vancouver, ISO, and other styles

40

Latour Jr., Robert A. "Molecular modeling of biomaterial surfaces." Current Opinion in Solid State and Materials Science 4, no. 4 (August 1999): 413–17. http://dx.doi.org/10.1016/s1359-0286(99)00022-4.

Full text

APA, Harvard, Vancouver, ISO, and other styles

41

KRIEGER, JAMES. "Capabilities of Molecular Modeling Expand." Chemical & Engineering News 65, no. 18 (May 4, 1987): 26. http://dx.doi.org/10.1021/cen-v065n018.p026.

Full text

APA, Harvard, Vancouver, ISO, and other styles

42

Laug, P., and H. Borouchaki. "Molecular Surface Modeling and Meshing." Engineering with Computers 18, no. 3 (October 25, 2002): 199–210. http://dx.doi.org/10.1007/s003660200018.

Full text

APA, Harvard, Vancouver, ISO, and other styles

43

Davidson, Ernest R. "Molecular Mechanics and Modeling: Overview." Chemical Reviews 93, no. 7 (November 1993): 2337. http://dx.doi.org/10.1021/cr00023a600.

Full text

APA, Harvard, Vancouver, ISO, and other styles

44

Booth, AG. "Computer graphics and molecular modeling." Biochemical Education 15, no. 1 (January 1987): 51. http://dx.doi.org/10.1016/0307-4412(87)90169-5.

Full text

APA, Harvard, Vancouver, ISO, and other styles

45

Rastija, V., S. Nikolić, and M. Medić-Šarić. "Molecular modeling of wine polyphenols." Journal of Mathematical Chemistry 46, no. 3 (July 22, 2009): 820–33. http://dx.doi.org/10.1007/s10910-009-9552-2.

Full text

APA, Harvard, Vancouver, ISO, and other styles

46

Ishii, Akio, Hajime Kimizuka, and Shigenobu Ogata. "Multi-replica molecular dynamics modeling." Computational Materials Science 54 (March 2012): 240–48. http://dx.doi.org/10.1016/j.commatsci.2011.10.013.

Full text

APA, Harvard, Vancouver, ISO, and other styles

47

Burke, Steven D., Louis A. Silks, and Sharon M. S. Strickland. "Remote functionalization and molecular modeling." Tetrahedron Letters 29, no. 23 (January 1988): 2761–64. http://dx.doi.org/10.1016/0040-4039(88)85202-x.

Full text

APA, Harvard, Vancouver, ISO, and other styles

48

Chandrasekaran, R., A. Radha, and A. Giacometti. "Molecular modeling of substituted polysaccharides." Carbohydrate Polymers 28, no. 1 (January 1995): 49–59. http://dx.doi.org/10.1016/0144-8617(95)00078-x.

Full text

APA, Harvard, Vancouver, ISO, and other styles

49

Porcheron, F., P. A. Monson, and M. Thommes. "Molecular Modeling of Mercury Porosimetry." Adsorption 11, S1 (July 2005): 325–29. http://dx.doi.org/10.1007/s10450-005-5945-0.

Full text

APA, Harvard, Vancouver, ISO, and other styles

50

Gund, T. M. "Supercomputer applications in molecular modeling." IEEE Engineering in Medicine and Biology Magazine 7, no. 4 (December 1988): 21–26. http://dx.doi.org/10.1109/51.20376.

Full text

APA, Harvard, Vancouver, ISO, and other styles

We offer discounts on all premium plans for authors whose works are included in thematic literature selections. Contact us to get a unique promo code!