Is there an experimental protein-protein binding DG database?

Dikeos Mario Soumpasis @Dikeos-Soumpasis

01 December 2017 0 1K Report

Theories and computational approximation schemes require experimental data in order to be validated and ranked.

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Who can send me digital FRAP experimental data for benchmarking updates to my well known equation for FRAP in membranes?

In 1983 I have derived an exact equation describing experimental FRAP curves obtained with the Axilrod-Elson-Schlessinger FRAP method, under the assumption of ideal conditions (free diffusion on...

04 July 2019 8,630 0 View

Protein-proteinor, DNA-protein complex formation deltaG's?

I need experimental deltaG's to test my theoretical predictions for the protein-protein or protein-DNA complex formation in aqueous solvents.

24 May 2018 9,583 2 View

How do you normalize your simulation bin counts toget the triplett corelations??

The normalization factor is crucial because the triplett correlations enter into the thermodynamics often as multidimensional integrals and quantitative conclusions depend a lot on the procedure...

18 June 2017 720 2 View

How do you deal with the many body involved?Do you just use the level set method on some external or mean field potential?

The way I understand level set functions is that you have a function U ,in a multidimentional space that can take values in some range and you ask about the lebesque measure (multidimentional...

01 January 1970 2,370 3 View

Is it possible to plot the atom-projected band structure using GPAW?

Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...

07 August 2024 269 3 View

Should I include H atom into C3N5 when i am doing DFT modelling?

Hi all, my experimental XPS results shown that my C3N5 sample consists of N-H bond, hence in this case I should incorporate the N-H bond into my DFT modelling. However, I do notice several papers...

07 August 2024 8,414 2 View

Are there any good simple systems or platforms to recommend?

In order to show people the beauty of control and enhance enthusiasm for learning control theories, are there any good simple systems or platforms to recommend?

05 August 2024 10,034 1 View

Why do exism movements become permanent dictatorship threats within liberal democracy thinking under majority rule-independent rule of law system?

Exism movements after gaining power within liberal democracies under majority rule and independent rule of law system become permanent dictatorship threats, but why this is the case is not clear...

04 August 2024 8,125 3 View

How to use Density Functional Theory to calculate carrier mobilities of solid system?

Hello, everyone. I have tried to determine carrier motilities of some materials, by Density Functional Theory, using Quantum ESPRESSO. There are a few methods to do it, like a package called...

04 August 2024 8,894 1 View

Some new emerging problems on application of RL for scheduling in IoT networks?

I have seen plenty of existing works on applied Reinforcement Learning (RL) policies for optimized scheduling in IoT networks including Q-learning, DQNs, and the newer ones including PPO for...

01 August 2024 8,754 2 View

How can I calculate formation energy using VASP-Ab-initio?

I would like to calculate the formation energy of P2-Na0.67Fe0.5Mn0.5O2 based on DFT, what should I do step by step. Any help would be appreciated. Thanks.

29 July 2024 8,248 2 View

Hi there, someone has the SeinFit software for windows because I cannot download it?

DOS version.

29 July 2024 6,064 1 View

There is possible way to calculate experimental DOS from the UPS spectrum of the material. How to calculate the DOS from UPS?

Here, I have attached the UPS graph. I'm trying to calculate the DOS/DOVS from the UPS.

29 July 2024 4,971 1 View

In terms of chaos, what is the necessary and sufficient condition for authoritarianism, permanent or temporary, to come to exist and persist?

Since 2016 Brexit, the world needed to change the thinking behind traditional democracy as the democratic landscape changed, yet traditional democratic thinkers and actors have been acting as if...

28 July 2024 6,515 1 View