17 Questions 8 Answers 0 Followers
Questions related from Fatemeh Razavi
hi every body. I need this book on the title part"solvent effect on tautomeric equilibria" for my project. would you please sent me a message if you have this book available. Solvents and Solvent...
14 April 2025 7,159 1 View
Dear all i want to opt my complex with mp2 (6-311++g(d,p)) for C H N O atoms and GenECP (lanl2dz) for Zn atom. but i encounter this error: Rotational constants (GHZ): 1.2999882 0.4336825...
26 October 2024 866 3 View
hello every body Does anyone have the article(s) and the book i mentioned bellow? someone asked me to find for but i can not even find them anywhere please help me Schlegel, H. B. (1990)....
26 September 2024 3,740 5 View
Hello every one. I want to simulate a drug through membrane and i need to gain structure and topology file of the drug molecule . i used to do this by using Prodrg under-web program but...
16 May 2024 5,493 0 View
Hello I want to know that what is the most important ion in human body? refers to its diversity or importance of roles please send me references i.e. book or article if possible. thank you
28 March 2024 7,082 2 View
Hello every body. I just want to know whether delta G binding can be used for transition of a drug through a model membrane for example DPPC or not? thanks
15 March 2024 4,610 0 View
Hello every body I have a question in the field of biology. I want to know that how much cholesterol could be found in blood-brain barrier of human. Is the quantitty of cholestrol veriable in BBB...
06 November 2023 8,350 0 View
Hello every body. I am optimizing a complex of ion and guanine molecule. fixing the position of the ion, i mean remain between two special atoms, is important, in order to compare. here is the...
03 November 2023 6,630 0 View
Hello every body I want to do umbrella sampling following Mr. Justin Lemkul Tutorial. I simulated and prepared lipid bilayer by version 4 of gromacs before, now in continuous in order to do the...
23 October 2023 7,820 3 View
hello every body Does anyone have any idea to solve error l801 in gaussian 09. here is the snapshot of the error. it is an mp2 optimizaion of guanine and Mg+2 cation. I would be very thankful.
08 September 2023 4,332 1 View
Hello every one I have problem pasting some numbers in word or excel 2010 which are coped from the frequency output in gaussian, when it pasted, it had a column format which wasted lots of time to...
30 May 2023 9,146 2 View
Hello every body Does any one has any idea to help me choose a reasonable basis set for intermediate metal ions (i.e Fe2+, Mn2+, Cu2+ and exc.) interactions with guanine or other DNA organic...
02 March 2021 6,796 2 View
Hello every body I am using IRC command line to confirm my ts molecule which is obtained from Scan. my problem is that some of my irc files ran abnormally I mean when I open it with gauss view the...
14 December 2020 8,347 5 View
Hello every one. I will be thank you if you send me any article which can help me determine guanine tautomers and or their related reactions.
03 February 2020 3,883 1 View
Hello I need some information about the lipid composition of human endothelial cell membrane.
05 February 2018 6,517 3 View
For my MD simulation I HAVE SOME QUESTIONS. 1) Can morphine penetrate through cell membranes especially blood-brain barrier itself too or it is common for M6G and M3G to pass through BBB? 2)...
21 January 2018 2,777 0 View
Hi guys Does any one have the full text article for " Identification of Possible Binding Sites for Morphine and Nicardipine on the Multi-drug Transporter P-Glycoprotein Using Umbrella Sampling...
17 December 2017 8,625 2 View
