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Recent Computational Chemistry Inquiries

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Computational Chemistry

Hello, i can across your profile on zintro and feel that you may be able to assist me with a small project that i am working on. In essence the goal of the project is to explain via molecular modeling and quantum chemistry (and any other relevant means) the reason why glutathione can attack at the ipso carbon (i.E. The carbon to which the -nh2 is attached) of 2-fluoro-4-‘halogen’-aniline and remove the fluorine atom at the 2-position when the halogen in the 4-position is either cl, br and i but why the conjugation does not occur when fluorine is in the 4-position of 2-fluoroaniline (i.E. 2-f-4-f-aniline). Please let me know if you think that you could be of assistance with this project. Ideally i would like a relatively quick turn-around (say within a month). Thank you, kevin. . .

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    Olga |computational chemist

    I'll contact you on this question on Monday....

    31 Minutes Later
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    Luca |PhD

    Hi Kevin, I can help you in your project. I would inform you that in this kind of ***** i...

    53 Minutes Later
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    Anand |MD

    Dear Kevin, Yes imfourpi can assist you in this project in one month time, Please do let us know ho...

    4.1 Hours Later
+28 Other Responses
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Computational Chemistry

I hope this message finds you well. I am looking for an expert on computational chemistry to teach me through any alternative video call. I need to learn different aspects on computational and modelling chemistry. Starting from the basic, i would like to learn various applications of computational chemistry for modelling structures and reactions of chemical systems . Therefore, i need a strong course on computational chemistry field and how to use the available software such as schrodinger, bearing in mind that i already has the schroedinger software. I have also keen interest to learn the software and enhance my knowledge deeply in it because i have planned to do my phd in computational chemistry. I will pay $50 per hour. Noted that my background is computer science, recently, i have started learning chemistry. I look forward hearing from at your earliest convenience. With regards, miasser

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    Richard |Computational Chemist

    I would be glad to help you with this. Please let me know how to proceed....

    8 Minutes Later
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    Natalya |CEO

    SCHTM teaches courses in *****istry (in person and on-line,); you are welcome to apply...

    27 Minutes Later
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    Kalyanaraman |President and Chief Scientific Officer

    Hello I can help you with *****se let me know how you want to proceed. THanks. kal Ram...

    38 Minutes Later
+23 Other Responses
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Computational Chemistry

Evaluation of different approaches for ligand-based screening focused on drug reprofiling

  1. Profile Picture

    Melissa |Associate Professor

    Hi reig, I'm interested in discussing with you further about your needs....

    13 Minutes Later
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    Rodney |Biochemist

    Dear reig, I would like more ***** your project, Thank you, Rodney...

    30 Minutes Later
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    Ryan |Principal Scientist

    Hi I have a background in *****istry, have worked as a *****istry support...

    1.8 Hours Later
+22 Other Responses
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Analytical/organic Chemistry

I am looking for phd level who knows hplc , analytical chemistry statistics , adsorption mechanisms etc .

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    Krishnamacharyulu |Managing Partner

    I'm an expert in this field with a PhD in organic chemistry. Feel free to contact me- Krishna...

    1.5 Hours Later
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    Edward |Associate Professor of Analytical Chemis

    Here I am! How can I help you??? Give me, please, some details of your inquiry... Kind regards, Edw...

    3.3 Hours Later
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    David |Sr. Scientist

    What type of writing: technical, *****rt, ad copy? What subject matter? Will it require adidtio...

    11.7 Hours Later
+33 Other Responses
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Computational Chemistry

In essence the goal of the project is to explain via molecular modeling and quantum chemistry the reason why glutathione can attack 2-fluoroaniline and remove the fluorine atom at the 2-position of the molecule when the halogen in the 4-position of the molecule is either cl, br and i but why the reaction does not occur when there is a fluorine in the 4-position (i.E. 2-f-4-f-aniline). Please let me know if you think that you could be of assistance with this project. Ideally i would like a relatively quick turn-around (say within 7 days). Thank you.

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    sridhar |jr. scientist

    yes we can do ***** can be done within a week... the problem is right now I dont have a...

    49 Minutes Later
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    junk |CEO

    Zintro removed a portion of my previous message. I had added a paragraph giving you my e-mail addre...

    3.3 Hours Later
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    Fabrizio |PostDoc Researcher

    sorry, can't help you...

    14.9 Hours Later
+10 Other Responses
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Computational Chemistry

Hello, i am working on a project in which i would like to have a computational chemist perform some calculations for me. I do not have computational software so it will be necessary for you to perform all the calculations. Essentially i am working on the regioselectivity of aromatic hydroxylation and n-oxygenation by cytochrome p450 of 2 compounds (a simple pyridine and a simple pyrimidine), similar to the methods described in drug metabolism and disposition, 32:328-332, 2004 and drug metabolism and disposition, 30: 7-12, 2002. Values that i would like to have calculated include: - am1 energies for addition of methoxy radical to each of the 2 compounds (as described in table 1 of the 2002 paper above) - delta-delta g - values for the relative heats of formation of the tetrahedral intermediates (as described in table 2 and 3 of the 2004 paper above) if you have the know-how to perform these types of calculations please respond to me with a total quote and an approximate turn-around time. Thank you.

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    sridhar |jr. scientist

    Hello, Can you send me the papers you mentioned in your description, your description is looking in...

    14 Minutes Later
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    Suhaib |Experienced Biotechnology/Pharmaceutical

    Hi I am a *****ultant, where I mostly provide services and ***** at my clients si...

    19 Minutes Later
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    Richard |Computational Chemist

    I can and would be glad to do these ***** you. It's going to take a couple of hours to s...

    22 Minutes Later
+16 Other Responses
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Qsar & Molecular Modeling

Computational chemistry workshops the computational chemistry component will include your satisfactory completion of the workshop tasks and your comprehension of those plus a written assignment that will allow assessment of your integration of the skills you have learnt in a contemporary context and the application of these to the design of sulfonamide antibiotics • an assignment on qsar. This will be an essay format of 2000 words on the development of a qsar model for a given sulphonamide set (molecule data set for students) attached. • second, a qsar model will be developed for the full classes bioassay results using the moe molecular modelling package.

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    Richard |Computational Chemist

    I'm interested. Please send me more details....

    17 Minutes Later
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    Herschel |Principal

    Hello. Can you clarify just what this assignment is? What is the essay for and any other informati...

    21 Minutes Later
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    Ali |Senior Scientist

    I have worked on QSAR extensively and I have many conference paper and per-reviwed *****...

    1.1 Hours Later
+7 Other Responses
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Quantum Chemistry

I am assistant professor in chemistry,my field of interest is quantum chemistry ,i want to solve hermit differential equation

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    Antonio |Staff Scientist

    The Hermite polynomials are well-known and established in both probability theory and physics. What...

    6.6 Hours Later
+1 Other Responses
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Computational Chemistry And Biology

Hello, i have a relatively straight forward project that i am hoping to get some help with. I am interested in docking a protein which has a pdb-available crystal structure with 6 known drugs. What i would like for each of the 6 dockings are: (1) a schematic plot/figure showing the docking for each ligand to the active site (2) a predicted ki (3) identification of the amino acids involved in binding and a figure showing this (4) a figure showing the superimposition of the identified ligands (in the absence of the protein) (5) electrostatic potential surfaces of the inhibitors and their binding energies (6) orbital energies/quantum mechanics-related areas. Please let me know if you can recommend any additional areas to the above list to help to fully investigate and characterize the docking of these ligands to the protein. Also please quote me a rough estimate of your time and total price (excluding the zintro fees). Thank you!

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    Richard |Computational Chemist

    I can do this, only I could give you Kd for each ligand. Ki is not an easy quantity to compute-you'...

    2.6 Hours Later
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    Sonika |Assistant Professor

    Thank you for the message. I have a sound knowledge of protein structures. I also have published w...

    2.9 Hours Later
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    Hemantkumar |Computational Chemist/ Molecular Modelle

    Hello, =Hi I have a *****ight forward project that I am hoping to get some help with. I a...

    10.1 Hours Later
+22 Other Responses
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Compulational Chemistry

Computational chemistry expert

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    Ryszard |Principal Scientist

    I would like to learn more about this project...

    36 Minutes Later
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    Olga |computational chemist

    Hi, I have over 20 years experience in *****istry, phD in physical chemistry, MS in phy...

    1.3 Hours Later
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    Petar |chemical engineer and improvement manage

    Dear Sirs, please give me a bit more *****t the topic you are interested in. What kind ...

    2 Hours Later
+9 Other Responses
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Molecular Modeling

The areas focussed are molecular modeling/computational chemistry in drug discovery. Topics to be clarified are adoption rate of outsourcing, molecular modeling market share and percentage indrug discovery, ip protection and trends in developing molecular modeling software (in-house/outsourcing)

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    Michael |Research Scientist

    I am NOT bound by a non-disclosure agreement (NDA), confidentiality or other agreement that limits m...

    35 Minutes Later
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    Alexandre |Molecular Modeler

    Dear Arundex team, I'm interested by the description, but I don't understand what your question is ...

    56 Minutes Later
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    William |Principal

    I am interested in exploring the opportunity. I am not currently bound by an NDA in any of the prop...

    2.8 Hours Later
+7 Other Responses
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Computational Chemistry

We would like to have a brief chat on the potential project for drug discovery. . .

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    Julio |PhD student

    Could you give some more details? Greetings, Julio...

    4 Minutes Later
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    sridhar |jr. scientist

    Can you please give me the details of the project at your earliest convenience. Thanks...

    4 Minutes Later
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    Richard |Computational Chemist

    I am interested in discussing this with you. Let me know how to proceed....

    5 Minutes Later
+33 Other Responses
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