Science Aura
Science Aura
  • Видео 51
  • Просмотров 208 666
CHEM-INFORMATICS 01
CHEM-INFORMATICS 01
Просмотров: 725

Видео

CHEM-INFORMATICS 02
Просмотров 1,7 тыс.4 года назад
CHEM-INFORMATICS 02
Molecular Docking #5
Просмотров 3,6 тыс.4 года назад
Drug likeness & properties explained
Molecular docking #4
Просмотров 9 тыс.4 года назад
Drug likeness and properties
WINMOSTAR 03 - (POINT GROUP ANALYSIS)
Просмотров 1,3 тыс.4 года назад
WINMOSTAR 03 - (POINT GROUP ANALYSIS)
WebMO 01 - (Molecular Modelling)
Просмотров 9374 года назад
WebMO 01 - (Molecular Modelling)
WebMO 04 - (Transition State of an SN2 Reaction)
Просмотров 1,5 тыс.4 года назад
WebMO 04 - (Transition State of an SN2 Reaction)
WebMO 02 - (GAUSSIAN BASIS SETS)
Просмотров 9 тыс.4 года назад
WebMO 02 - (GAUSSIAN BASIS SETS)
WebMO 05 - (HUCKEL MOLECULAR ORBITALS)
Просмотров 5864 года назад
WebMO 05 - (HUCKEL MOLECULAR ORBITALS)
WINMOSTAR 05 - (UV-VIS SPECTRUM BY USING CNDO-d METHOD)
Просмотров 7224 года назад
WINMOSTAR 05 - (UV-VIS SPECTRUM BY USING CNDO-d METHOD)
WebMO 03 - (Gaussian - Spectral Interpretation)
Просмотров 7874 года назад
WebMO 03 - (Gaussian - Spectral Interpretation)
WINMOSTAR 02 - (Molecular Modelling & Editing)
Просмотров 1 тыс.4 года назад
WINMOSTAR 02 - (Molecular Modelling & Editing)
WINMOSTAR 07 - (CONCEPT OF Z - MATRIX)
Просмотров 2,3 тыс.4 года назад
WINMOSTAR 07 - (CONCEPT OF Z - MATRIX)
WINMOSTAR 04 - (Vibrational modes & Spectral Analysis)
Просмотров 6834 года назад
WINMOSTAR 04 - (Vibrational modes & Spectral Analysis)
WINMOSTAR 06 - (Molecular Orbital Using CNDO-d Method)
Просмотров 7864 года назад
WINMOSTAR 06 - (Molecular Orbital Using CNDO-d Method)
AVOGARO - Concept of Planarity in Molecules
Просмотров 1,3 тыс.4 года назад
AVOGARO - Concept of Planarity in Molecules
MOPAC 7 - (Calculations Using Hamiltonians Part 01)
Просмотров 8784 года назад
MOPAC 7 - (Calculations Using Hamiltonians Part 01)
MOPAC 6 - (Calculations using Hamiltonian Part 02 )
Просмотров 8864 года назад
MOPAC 6 - (Calculations using Hamiltonian Part 02 )
MoPAC 1 - Point Group Analysis
Просмотров 1,7 тыс.4 года назад
MoPAC 1 - Point Group Analysis
MoPAC 2 - Heat of Formation
Просмотров 2,1 тыс.4 года назад
MoPAC 2 - Heat of Formation
MoPAC 3 - Vibrational Parameters (Rotational Constants, ZPE, Modes of Vibrations)
Просмотров 1,2 тыс.4 года назад
MoPAC 3 - Vibrational Parameters (Rotational Constants, ZPE, Modes of Vibrations)
MoPAC 4 - Bond Order Calculations
Просмотров 1,1 тыс.4 года назад
MoPAC 4 - Bond Order Calculations
MoPAC 5 - Pka of an Acid
Просмотров 1,2 тыс.4 года назад
MoPAC 5 - Pka of an Acid
MOPAC 8 (HOMO LUMO ENERGIES)
Просмотров 6 тыс.4 года назад
MOPAC 8 (HOMO LUMO ENERGIES)
Winmostar v 10 01 - Installation
Просмотров 1,6 тыс.4 года назад
Winmostar v 10 01 - Installation
MOPAC installation
Просмотров 4,9 тыс.4 года назад
MOPAC installation
Molecular Docking #1
Просмотров 64 тыс.4 года назад
Molecular Docking #1
Molecular Docking #2
Просмотров 16 тыс.4 года назад
Molecular Docking #2
ORIGIN - 1
Просмотров 6354 года назад
ORIGIN - 1
Plotly - Scientific graphing & Data analysis
Просмотров 9314 года назад
Plotly - Scientific graphing & Data analysis

Комментарии

  • @TerryValdez-h8i
    @TerryValdez-h8i 2 месяца назад

    Trantow Haven

  • @iDenyTalent
    @iDenyTalent 2 месяца назад

    Sir what is a electron

  • @chemistry838
    @chemistry838 2 месяца назад

    great explanation. thanks

  • @studyfyfacts
    @studyfyfacts 2 месяца назад

    thank you sir😍

  • @malikmuhammadshoaib7319
    @malikmuhammadshoaib7319 2 месяца назад

    Thank you so much for nice elaboration... Please make a video for small organic molecule also.

  • @francescoclemente9433
    @francescoclemente9433 2 месяца назад

    Thanks <3

  • @success7669
    @success7669 3 месяца назад

    thank you was usful

  • @success7669
    @success7669 3 месяца назад

    could you please help me if there any differences between run the TDDFT for a diradical ? and some paper mentioned as thermal excited triplet ? open-shell singlet (OS) ground state and thermally excited triplet (Tt) state calculated by DFT methods (UB3LYP/6-31G)? if you could a bit explant it as I would like to run similar job?

  • @markmuravec8624
    @markmuravec8624 4 месяца назад

    Great video, very conscise and useful!

  • @lifesciencedecoded
    @lifesciencedecoded 5 месяцев назад

    Sir which software is used to predict the anti-cancer compound ?

  • @SimranSharma-i8i
    @SimranSharma-i8i 6 месяцев назад

    Well, the video was good just one thing in 6-31G, it is not thirty one , it is always pronounced as three one....

  • @meoyeude
    @meoyeude 7 месяцев назад

    Could I can design two leads and a central molecular to calculate the I-V ?

  • @muralidharpandey6074
    @muralidharpandey6074 8 месяцев назад

    Sir in my project the active amino acid tyrosine react with phasphodiester bond of DNA strands.so for this reaction I am interested to show reaction path way by TD DFT calculation.If it is possible please guide me

  • @ranashoaib-k6j
    @ranashoaib-k6j 8 месяцев назад

    Sir i don't have ligand in my structure? Where it is

  • @vaishnavikadam2253
    @vaishnavikadam2253 8 месяцев назад

    Thank you sir ❤ really informative session

  • @benjaminjoseph9380
    @benjaminjoseph9380 8 месяцев назад

    Well explained but a lot of grammar mistakes on the slides

  • @Soniya26-ro9it
    @Soniya26-ro9it 9 месяцев назад

    tq sir

  • @amanullah-hf5gp
    @amanullah-hf5gp 9 месяцев назад

    After 3 days now I'm satisfied with this video

  • @karthikeyanG-v5h
    @karthikeyanG-v5h 9 месяцев назад

    Nice experience

  • @XianjinQin
    @XianjinQin 9 месяцев назад

    it is really helpful for introducing the fundamental molecule docking knowledge! thanks a lot.

  • @nawalguebbai4015
    @nawalguebbai4015 10 месяцев назад

    Hello pr Please can you tell me how we use tddft calculations to identify the donor and acceptor between two molecules thank you

  • @fathimahkh802
    @fathimahkh802 10 месяцев назад

    thank you so much prof

  • @MBHAWSAWI
    @MBHAWSAWI Год назад

    thanks for the lecture. How can I report the docking in my paper?

  • @rashamoustafa427
    @rashamoustafa427 Год назад

    So great so simplicity so good lecture 🙌 👌 😌 😊😊🎉 many thanks😊

  • @abdullahiasmau1733
    @abdullahiasmau1733 Год назад

    thank you very much

  • @debamitacharan4327
    @debamitacharan4327 Год назад

    Thank you sir... Very simple and helpful explanation

  • @jemoussa
    @jemoussa Год назад

    Hi, I'm a MOPAC developer, and I appreciate seeing MOPAC tutorial content on RUclips. However, some information in this video is now out of date: MOPAC is now open-source software and doesn't require a license key anymore to access the latest, open-source versions. Also, there are now graphical installers available for Mac/Windows/Linux that create the install directories and set correct file permissions, which should simplify installation for most users.

  • @adebomidavidoluwatoyin4563
    @adebomidavidoluwatoyin4563 Год назад

    Beautiful. Doing the lords work my bro

  • @enseignante6444
    @enseignante6444 Год назад

    thank you

  • @adeelakram3811
    @adeelakram3811 Год назад

    ruclips.net/video/vA4tmDGb4vU/видео.html

  • @pinky9609
    @pinky9609 Год назад

    You have stopped to upload lecture .. please upload more lecture like this on CADD

    • @ScienceAura
      @ScienceAura Год назад

      Happy to hear this, we'll get back you soon.

  • @medpharma3648
    @medpharma3648 Год назад

    Excellent explaination

  • @shafeekbuhlak5450
    @shafeekbuhlak5450 2 года назад

    thank you very much ... can I use this website for docking, interaction, and visualization to put it in articles so I do not have to purchase autodoke or MOE 😅

    • @ScienceAura
      @ScienceAura 2 года назад

      For a preliminary level of compiling your results this would be a great tool to organize your experiments. But it's not advisable to use it for your publication purpose. But, may be you can cross check with some articles if they have used these online softwares for their publication purpose. Thanks & Regards

  • @shafeekbuhlak5450
    @shafeekbuhlak5450 2 года назад

    thank you so much for this very interesting helpful video

  • @brotherkps
    @brotherkps 2 года назад

    Can u give me therotical note

  • @aaras7020
    @aaras7020 2 года назад

    thank you bro very helpfull

  • @dimitriosthomos3321
    @dimitriosthomos3321 2 года назад

    Is there an option to paste a ligand's structure from ChemDraw? I am an inorganic chemist and the ligand I want to use is complex and I am not able to draw it in mclue. Also the ligand is not available to find online because it's a newly synthesized ligand.

  • @cameronwolf4093
    @cameronwolf4093 2 года назад

    Great video thanks alot

  • @yelurunitish8820
    @yelurunitish8820 2 года назад

    Nice video to learn

  • @gebretsadiktebabal4
    @gebretsadiktebabal4 2 года назад

    very good information thank you sir

  • @br353
    @br353 2 года назад

    Thanks so much Really helpful

  • @monalikhairnar85
    @monalikhairnar85 2 года назад

    So nice and simple explanation Thank you so much,......😊

  • @AnjaliSharma-ly5yq
    @AnjaliSharma-ly5yq 2 года назад

    very nice video🌸

  • @smart9924
    @smart9924 2 года назад

    Thank you so much Sir! This video was very helpful 👍

  • @shrutijeurkar6765
    @shrutijeurkar6765 2 года назад

    How to install in Ubuntu?

  • @fitrianadiatulrizal5511
    @fitrianadiatulrizal5511 2 года назад

    thanks

  • @anchalgera2505
    @anchalgera2505 2 года назад

    i am trying to download but website page is changed and I am unable to download it

  • @AyushMishra-sv5pp
    @AyushMishra-sv5pp 2 года назад

    Which molecule is this?

  • @mscximenacuriel4491
    @mscximenacuriel4491 2 года назад

    AMAZING!

  • @farkhandamazhar6870
    @farkhandamazhar6870 2 года назад

    Thank you respected Sir