12 April 2023 1 693 Report

I have a trajectory of MD simulation which is apt for doing free energy calculations by MM GBSA/PBSA methods. Can I use the same trajectory for alchemical free energy calculations or Thermodynamic Integrated simulation is mandatory for doing the calculations?

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What is the meaning of Positive delta G In Free Energy calculation between protein and Ligand?

I have done Gromacs for FEP ( Free energy perturbation) between Protein and Ligand in Water solvent, with Positive Ions. I got DG 26.02 +/- 3.14 Kj/Mol. I got positive Delta G. How i can...

18 August 2020 736 4 View

How can i prevent the peak tailing in HPLC?

I am using hexane sulfonic acid as ion pair reagent. pH is 3.85. Mobile phase is Buffer and methanol 35:65 ratio. seperated two analytes in this method. C18 column with end cap i am using. How can...

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I wish to formulate trichoderma spore in talqa powder and liquid form. any one please suggest me ?

i wish to formulate trichoderma spore in talqa powder and liquid form. any one please suggest me ?

04 August 2019 4,211 3 View

Kindly, name some Fast publication, paid SCOPUS / ESCI / SCI indexed journals in the area of Optimization?

Fast Publication Journals in Optimization

11 February 2019 963 13 View

Can anyone provide me and address of any such industry in India which helps me in extracting essential oil from my research plant species?

i have been working on synthesis of nanoparticles using plant extract. while going through literature i found that some researchers have extracted essential oils from plants.. in this regard i...

18 January 2019 2,895 5 View

Regarding starting resesarch on particle and nuclear physics?

I want to learn particle and nuclear physics. Please give some suuggestions. What type of books should I read for begineer

10 January 2019 336 3 View

Hi all..! Can anyone knows where is the high temperature wear test machine is available in India?

Hi all..! Can anyone knows where is the high temperature wear test machine is available in India?

19 September 2018 8,241 4 View

Can anyone have detailed procedure of preparation of wright stain?

Malaria stain preparation

03 September 2018 2,183 4 View

How to configure the Instrument using Labview without using its specific instrument drivers?

how can i configure any instrument using VISA instrument drivers rather than its specific instruments drivers. need help for control of instruments using VISA drivers

30 July 2018 9,329 6 View

Why there is a change in the trend of the main effect of Garnet size on the depth of cut in the abrasive waterjet machining process?

Am working on the abrasive waterjet machining of Brass, during the analysis of variances, it was found that when the abrasive grain size was decreased from 60mesh to 80mesh, there was decreasing...

24 July 2018 6,947 9 View

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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.

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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.

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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

What kind of fluid could I use for a pitfall trap that also does not invalidate molecular testing?

Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...

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After a reference from Int J Body Compos Res, can any body help?

Hi, I am after the reference below, my library says it cannot obtain a copy either locally or internationally, any help appreciated! Chris Wang ZM, Heshka S, Wielopolski L, Pi-Sunyer FX, Pierson...

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Irradiation data for JAPAN?

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Arena simulation - how do i model the following model in ARENA (see description) (new to ARENA)?

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