What are the drug targets for different anticancer cell lines?

Dear all, I have some compounds which good activity against some cancer cell lines (such as DU145 (Human prostate Cancer), MDA MB-231 (human breast cancer), etc. Now I want to search for the...

31 December 2018 8,092 7 View

TLC cutting made easy, will it make TLC Cutting really easy?

I developed a device for cutting the TLC plates. This is my new invention and this design is registered. I wish to commercialize this product. Please let me know if it is useful for daily...

02 March 2018 7,279 15 View

Are CROs responsible for diminished drug output?

Contract Research Organizations are growing very fast and drug discovery programs are exclusively using these services. However, I think that this culture is not able to produce the drug flow as...

31 December 2017 572 4 View

What is the significance of Rf value of organic compounds in medicinal chemistry ?

Rf values (TLC and HPLC) are used to identify the drug molecules. However this information can be of great value in medicinal chemistry and drug discovery. I think there's a great correction...

11 December 2017 6,720 12 View

What is the future of a Medicinal Chemist?

Rapidly changing pharmaceutical R&D strategies put medicinal chemists in big trouble. Big pharmaceuticals now a days are solely depend on CRO industry for their discovery projects. In my view...

07 August 2016 5,834 4 View

How to purify boronic acids/boronate esters?

06 July 2016 7,107 5 View

Can I convert ester to nitrile in one step?

Dear all, I want to convert an ester to nitrile in one step. My structure contains base labile groups so I cannot use ester amine procedures. Is there any method through which I can easily convert...

31 December 2015 3,838 20 View

How can I search the latest patents?

Reviews play a pivotal part in present day research. However, patent searching is a tedious job. I want to write a review on anti-diabetic compounds. I want to add patented anti-diabetic compounds...

04 May 2014 3,799 6 View

How do you search for the compounds in current clinical trials?

Reviews play a pivotal part in present day research. However, updated reviews take a lot of efforts to design. I want to write a review on anti-diabetic compounds which are currently progressing...

04 May 2014 8,705 5 View

No title

09 October 2013 9,083 9 View

error in running a model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

error in modelling model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MGL tools

20 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

i have some problem with chtMultiRegionSimpleFoam

--> FOAM FATAL ERROR: Maximum number of iterations exceeded From function Foam::scalar Foam::species::thermo::T(Foam::scalar, Foam::scalar, Foam::scalar, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar) const) const [with Thermo = Foam::hConstThermo >; Type = Foam::sensibleEnthalpy; Foam::scalar = double; Foam::species::thermo = Foam::species::thermo >, Foam::sensibleEnthalpy>] in file /home/ubuntu/OpenFOAM/OpenFOAM-4.1/src/thermophysicalModels/specie/lnInclude/thermoI.H at line 66. FOAM aborting #0 Foam::error::printStack(Foam::Ostream&) at ??:? #1 Foam::error::abort() at ??:? #2 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::calculate() at ??:? #3 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::correct() at ??:? #4 ? at ??:? #5 __libc_start_main in "/lib/x86_64-linux-gnu/libc.so.6" #6 ? at ??:?

24 March 2021 0 0 View