Introduction to Water Thermodynamics

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10.1080/07391102.2020.1867642

We augmented glide three-tier molecular docking protocol with water thermodynamics to screen molecules obtained from three different compound libraries.

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10.1016/J.DSR.2019.03.009

model using (1) the Millard and Seaver equation for the refractive index of seawater [Deep Sea Research Part A, 37, 1909-1926 (1990)] and (2) the Feistel equation for Gibbs free energy for seawater thermodynamics [Deep-Sea Research I, 55, 1639-1671 (2008)].

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10.1007/S11433-018-9408-2

The latter drives the water thermodynamics and is at the origin of its well known anomalies.

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10.1080/07391102.2019.1567393

Five structurally diverse novel Pak1 inhibitors (4835785, 32198676, 32407813, 76038049, and 32945545) were obtained from virtual screening, water thermodynamics and WM/MM ΔG binding energy.

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10.1063/5.0006431

Liquid spinodal the bedrock of the water thermodynamics was for a long time discussed side by side with liquidliquid critical point elusively hidden beyond homogeneous nucleation limit inspiring numerous hypotheses aspiring to explain water anomalies.

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Water Thermodynamics

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Sep 18, 2024

What is/are Water Thermodynamics?

Water Thermodynamics - We augmented glide three-tier molecular docking protocol with water thermodynamics to screen molecules obtained from three different compound libraries. ^[1] model using (1) the Millard and Seaver equation for the refractive index of seawater [Deep Sea Research Part A, 37, 1909-1926 (1990)] and (2) the Feistel equation for Gibbs free energy for seawater thermodynamics [Deep-Sea Research I, 55, 1639-1671 (2008)]. ^[2] The latter drives the water thermodynamics and is at the origin of its well known anomalies. ^[3] Five structurally diverse novel Pak1 inhibitors (4835785, 32198676, 32407813, 76038049, and 32945545) were obtained from virtual screening, water thermodynamics and WM/MM ΔG binding energy. ^[4] Liquid spinodal the bedrock of the water thermodynamics was for a long time discussed side by side with liquidliquid critical point elusively hidden beyond homogeneous nucleation limit inspiring numerous hypotheses aspiring to explain water anomalies. ^[5]