Schrodinger - Real-size cat figure in the garden of Huttenstrasse 9, Zurich, where Erwin Schrödinger lived 1921 – 1926. Depending on the light conditions, the cat appears either alive or dead. Schrödinger's cat is a thought experiment about quantum physics. Erwin Schrödinger suggested it in 1935, in reaction to the Copenhagen interpretation of quantum ...

 
Sep 1, 2023 · The Schrodinger Inc. stock price fell by -0.488% on the last day (Friday, 1st Sep 2023) from $36.89 to $36.71. During the last trading day the stock fluctuated 2.89% from a day low at $36.69 to a day high of $37.75. The price has risen in 6 of the last 10 days and is up by 8.58% over the past 2 weeks. . 9and10 news cadillac michigan

Summary. Schrodinger is a computational, physics-based molecule discovery platform that is looking to improve human health and quality of life. They are trying to do this by optimizing and ...Evaluated for Certification. “Schrödinger's Introduction to Computational Antibody Engineering course is perfectly suited for molecular biologists seeking deeper insights into in silico antibody design and structure guided engineering. I particularly enjoyed the extensive therapeutic examples and the excellent scientific bibliography.”.Jul 7, 2021 · Summary. Schrodinger is a computational, physics-based molecule discovery platform that is looking to improve human health and quality of life. They are trying to do this by optimizing and ... Schrödinger | Schrödinger is the scientific leader in developing state-of-the-art chemical simulation software for use in pharmaceutical, biotechnology, and materials research. BOUNDLESS Open new worlds of possibility for drug discovery and materials design Explore our platformTHE DATA-DRIVEN SCHRODINGER BRIDGE 3¨ Notice that these examples involve prior transition probabilities suited to the particular application being considered, while Schrodinger’s original proposal re-¨ stricted attention to the Wiener process. 1.2 The methodology The solution to the Schrodinger Bridge Problem can be factorized in the form¨ The simplest form of the Schrodinger equation to write down is: H Ψ = iℏ \frac {\partialΨ} {\partial t} H Ψ = iℏ ∂t∂Ψ. Where ℏ is the reduced Planck’s constant (i.e. the constant divided by 2π) and H is the Hamiltonian operator, which corresponds to the sum of the potential energy and kinetic energy (total energy) of the ...FEP+ is Schrödinger’s proprietary, physics-based free energy perturbation technology for computationally predicting protein-ligand binding at an accuracy matching experimental methods, across broad chemical space. Leverage FEP+ as an accurate, digital binding affinity assay to drive rapid in silico design cycles and focus experimental ...Aug 8, 2023 · Erwin Schrodinger, Austrian theoretical physicist who contributed to the wave theory of matter and to other fundamentals of quantum mechanics. He also made significant contributions to nearly all branches of science and philosophy. He shared the 1933 Nobel Prize for Physics with British physicist P.A.M. Dirac. Real-size cat figure in the garden of Huttenstrasse 9, Zurich, where Erwin Schrödinger lived 1921 – 1926. Depending on the light conditions, the cat appears either alive or dead. Schrödinger's cat is a thought experiment about quantum physics. Erwin Schrödinger suggested it in 1935, in reaction to the Copenhagen interpretation of quantum ...Non-EDGAR filing. Other. SCHRODINGER, INC. 0001950047-23-002894.pdf. 0001950047-23-002894.rtf. View HTML. Aug 03, 2023. 3. Initial filing by director officer or owner of more than ten percent.Dec 28, 2020 · The simplest form of the Schrodinger equation to write down is: H Ψ = iℏ \frac {\partialΨ} {\partial t} H Ψ = iℏ ∂t∂Ψ. Where ℏ is the reduced Planck’s constant (i.e. the constant divided by 2π) and H is the Hamiltonian operator, which corresponds to the sum of the potential energy and kinetic energy (total energy) of the ... Essentially a wave equation, the Schrödinger equation describes the form of the probability waves (or wave functions [ see de Broglie wave ]) that govern the motion of small particles, and it specifies how these waves are altered by external influences.Schrödinger's cat: a cat, a flask of poison, and a radioactive source connected to a Geiger counter are placed in a sealed box. As illustrated, the objects are in a state of superposition: the cat is both alive and dead. In quantum mechanics, Schrödinger's cat is a thought experiment that illustrates a paradox of quantum superposition. Sep 1, 2023 · The Schrodinger Inc. stock price fell by -0.488% on the last day (Friday, 1st Sep 2023) from $36.89 to $36.71. During the last trading day the stock fluctuated 2.89% from a day low at $36.69 to a day high of $37.75. The price has risen in 6 of the last 10 days and is up by 8.58% over the past 2 weeks. Real-size cat figure in the garden of Huttenstrasse 9, Zurich, where Erwin Schrödinger lived 1921 – 1926. Depending on the light conditions, the cat appears either alive or dead. Schrödinger's cat is a thought experiment about quantum physics. Erwin Schrödinger suggested it in 1935, in reaction to the Copenhagen interpretation of quantum ...Erwin Rudolf Josef Alexander Schrödinger (UK: / ˈ ʃ r ɜː d ɪ ŋ ər /, US: / ˈ ʃ r oʊ-/; German: [ˈɛɐ̯vɪn ˈʃʁøːdɪŋɐ]; 12 August 1887 – 4 January 1961), sometimes written as Schroedinger or Schrodinger, was a Nobel Prize–winning Austrian and naturalized Irish physicist who developed fundamental results in quantum theory.These collaborations have to date resulted in two FDA approved drugs and multiple programs that have advanced into clinical trials. COLLABORATOR. Undisclosed. Undisclosed. Collaborator Pipeline. Indication. Discovery PRECLINICAL PHASE 1 PHASE 2 PHASE 3 FDA APPROVED. COLLABORATOR. COLLABORATOR INDICATION. Schrödinger developed the paradox, says Martell, to illustrate a point in quantum mechanics about the nature of wave particles. "What we discovered in the late 1800s and early 1900s is that ...Biographical. E rwin Schrödinger was born on August 12, 1887, in Vienna, the only child of Rudolf Schrödinger, who was married to a daughter of Alexander Bauer, his Professor of Chemistry at the Technical College of Vienna. Erwin’s father came from a Bavarian family which generations before had settled in Vienna. Jul 7, 2021 · Summary. Schrodinger is a computational, physics-based molecule discovery platform that is looking to improve human health and quality of life. They are trying to do this by optimizing and ... Essentially a wave equation, the Schrödinger equation describes the form of the probability waves (or wave functions [ see de Broglie wave ]) that govern the motion of small particles, and it specifies how these waves are altered by external influences.lee, 20. watch me LIVE over on twitch lad. #shorts channelAug 3, 2023 · Schrödinger is the scientific leader in developing state-of-the-art chemical simulation software for use in pharmaceutical, biotechnology, and materials research. Schoedinger Funeral & Cremation Service represents more than 165 years of integrity, tradition and trust. We are proud to uphold a longstanding commitment to help families in Upper Arlington celebrate the lives of their loved ones with service excellence and attention to detail. Read More. GET CUSTOM QUOTE.Below is the article summary. For the full article, see Erwin Schrödinger . Erwin Schrödinger, (born Aug. 12, 1887, Vienna, Austria—died Jan. 4, 1961, Vienna), Austrian physicist. He taught physics in Zürich (1921–27) and Berlin (1927–33), then left Germany, objecting to the persecution of Jews. He settled in Ireland, where he joined ... Schrodinger Inc. Schrödinger, Inc. engages in the provision of chemical simulation software solutions to pharmaceutical industry. It operates through the Software and Drug Discovery business ...Materials Science. LiveDesign is an enterprise informatics platform that enables teams to rapidly advance materials discovery projects by collaborating, designing, experimenting, analyzing, tracking, and reporting in a centralized platform. This collaborative ideation solution enables teams of computational, synthetic, analytical, and process ...Aug 10, 2023 · Non-EDGAR filing. Other. SCHRODINGER, INC. 0001950047-23-002894.pdf. 0001950047-23-002894.rtf. View HTML. Aug 03, 2023. 3. Initial filing by director officer or owner of more than ten percent. Evaluated for Certification. “Schrödinger's Introduction to Computational Antibody Engineering course is perfectly suited for molecular biologists seeking deeper insights into in silico antibody design and structure guided engineering. I particularly enjoyed the extensive therapeutic examples and the excellent scientific bibliography.”.Jan 18, 2023 · Image: Shutterstock / Built In. Schrödinger’s Cat is a thought experiment devised by the Austrian physicist Erwin Schrödinger, which he designed to illustrate a paradox of quantum superposition wherein a hypothetical cat may be considered both alive and dead simultaneously because its fate is linked to a random event that may (or may not ... Notices will be deemed to have been duly given: (i) if personally delivered, when received; (ii) if via email to [email protected], two (2) business days after sending; confirmation of receipt requested; (iii) if sent for next day delivery by recognized overnight delivery service; two (2) business days after sending; and (iv) if sent by ...Schrödinger's cat: a cat, a flask of poison, and a radioactive source connected to a Geiger counter are placed in a sealed box. As illustrated, the objects are in a state of superposition: the cat is both alive and dead. In quantum mechanics, Schrödinger's cat is a thought experiment that illustrates a paradox of quantum superposition. She is responsible for the business, science, and development of Schrodinger's enterprise informatics and modeling platform, LiveDesign, and has overseen its growth across the pharmaceutical industry. In addition, she leads the Discovery Informatics team to support Schrodinger's collaborative and wholly owned internal drug discovery programs. Maestro is the graphical user interface (GUI) that is the foundation of the Schrödinger platform. Maestro is the culmination of years of research and development, led by industry-leading experts working closely with our users. Maestro was created to be the user environment that is both intuitive and allows our users to get work done efficiently.Encyclopaedia Britannica article on Erwin Schrodinger Nobel Lectures, Physics 1922–1941, " Erwin Schrödinger Biography Lưu trữ 2004-08-25 tại Wayback Machine " from NobelPrize.org Bài viết chủ đề cơ bản này vẫn còn sơ khai .Schrodinger was a physicist and saw what he thought was a problem with a specific interpretation of quantum mechanics around the law of superposition. This law states that subatomic particles can exist in multiple states and positions at one time.Schrödinger has partnered with Exxact Corporation to provide pre-configured and pre-installed machines for running Desmond on GPUs. See the MD Compatible Systems page for more information.To configure your own machine, follow the instructions below.First, check that hardware and software meet the requirements:Schrödinger's cat: a cat, a flask of poison, and a radioactive source connected to a Geiger counter are placed in a sealed box. As illustrated, the objects are in a state of superposition: the cat is both alive and dead. In quantum mechanics, Schrödinger's cat is a thought experiment that illustrates a paradox of quantum superposition. Image: Shutterstock / Built In. Schrödinger’s Cat is a thought experiment devised by the Austrian physicist Erwin Schrödinger, which he designed to illustrate a paradox of quantum superposition wherein a hypothetical cat may be considered both alive and dead simultaneously because its fate is linked to a random event that may (or may not ...Erwin Schrödinger, (born August 12, 1887, Vienna, Austria—died January 4, 1961, Vienna), Austrian theoretical physicist who contributed to the wave theory of matter and to other fundamentals of quantum mechanics. He shared the 1933 Nobel Prize for Physics with British physicist P.A.M. Dirac.Schoedinger Funeral & Cremation Service represents more than 165 years of integrity, tradition and trust. We are proud to uphold a longstanding commitment to help families in Upper Arlington celebrate the lives of their loved ones with service excellence and attention to detail. Read More. GET CUSTOM QUOTE.The Schrödinger Platform. Unleash the possibilities of molecular design with a digital chemistry platform that is governed by physics, amplified by machine learning, and optimized through team-based intelligence.シュレーディンガー株式会社の採用・求人情報ページです。シュレーディンガー株式会社 最先端の計算化学 ...lee, 20. watch me LIVE over on twitch lad. #shorts channelMar 13, 2021 · Capital-wise, Schrodinger is profitable. In 2020, its operating cash flow amounted to $16.76 million, a significant improvement over the negative $26.05 million in operating cash flow it brought ... Image: Shutterstock / Built In. Schrödinger’s Cat is a thought experiment devised by the Austrian physicist Erwin Schrödinger, which he designed to illustrate a paradox of quantum superposition wherein a hypothetical cat may be considered both alive and dead simultaneously because its fate is linked to a random event that may (or may not ...Image: Shutterstock / Built In. Schrödinger’s Cat is a thought experiment devised by the Austrian physicist Erwin Schrödinger, which he designed to illustrate a paradox of quantum superposition wherein a hypothetical cat may be considered both alive and dead simultaneously because its fate is linked to a random event that may (or may not ...Erwin Schrödinger proposed the quantum mechanical model of the atom, which treats electrons as matter waves. Schrödinger's equation, H ^ ψ = E ψ. \hat {H}\psi=E\psi H ^ψ = E ψ. H, with, hat, on top, \psi, equals, E, \psi. , can be solved to yield a series of wave function. Erwin Schrödinger proposed the quantum mechanical model of the atom, which treats electrons as matter waves. Schrödinger's equation, H ^ ψ = E ψ. \hat {H}\psi=E\psi H ^ψ = E ψ. H, with, hat, on top, \psi, equals, E, \psi. , can be solved to yield a series of wave function.hbspt.forms.create({ region: "na1", portalId: "21783038", formId: "55f7f0e2-8f3f-402f-b884-0a1f4042b8df" });May 18, 2022 · Windows. Open the Schrodinger Command Prompt or Schrodinger Power Shell . Enter: postmortem -autoreplace JOBID. To find the job id of the failed job, enter: jobcontrol -list all. to list all your jobs. The job id is in the left column. Sep 1, 2023 · Schrodinger Inc is a healthcare-based software company. Its operating segments are Software and Drug discovery. Through the Software segment, the company is focused on selling software to ... The Schrödinger Platform. Unleash the possibilities of molecular design with a digital chemistry platform that is governed by physics, amplified by machine learning, and optimized through team-based intelligence. In quantum mechanics, Schrödinger's cat is a thought experiment that illustrates a paradox of quantum superposition. In the thought experiment, a hypothetical cat may be considered simultaneously both alive and dead, while it is unobserved in a closed box, as a result of its fate being linked to a random subatomic event that may or may not occur.hbspt.forms.create({ region: "na1", portalId: "21783038", formId: "55f7f0e2-8f3f-402f-b884-0a1f4042b8df" }); View the latest Schrodinger Inc. (SDGR) stock price, news, historical charts, analyst ratings and financial information from WSJ.Con mèo của Schrödinger. Trạng thái của mèo, mô tả theo cách hiểu Copenhagen về cơ học lượng tử, là chồng chập của sống và chết, cho đến khi có người mở hòm ra xem. Thế nhưng theo trực giác, trong thế giới vĩ mô, con mèo chỉ có thể ở một trong hai trạng thái cơ bản ...The Schrödinger Platform. Unleash the possibilities of molecular design with a digital chemistry platform that is governed by physics, amplified by machine learning, and optimized through team-based intelligence. Sales: +1 800 207 7482. [email protected]. Contact Sales. Scientific and Technical Support: +1 888 891 4701. +49 621 92108001. Contact Support. Employment Verification:Schoedinger Funeral & Cremation Service represents more than 165 years of integrity, tradition and trust. We are proud to uphold a longstanding commitment to help families in Upper Arlington celebrate the lives of their loved ones with service excellence and attention to detail. Read More. GET CUSTOM QUOTE.Windows. Open the Schrodinger Command Prompt or Schrodinger Power Shell . Enter: postmortem -autoreplace JOBID. To find the job id of the failed job, enter: jobcontrol -list all. to list all your jobs. The job id is in the left column.THE DATA-DRIVEN SCHRODINGER BRIDGE 3¨ Notice that these examples involve prior transition probabilities suited to the particular application being considered, while Schrodinger’s original proposal re-¨ stricted attention to the Wiener process. 1.2 The methodology The solution to the Schrodinger Bridge Problem can be factorized in the form¨Apr 28, 2022 · To make use of GPU cards for Desmond calculations, the schrodinger.hosts file must be configured for each host. For example, on your local workstation, you could add the following entry: # Local workstation name: myhostname host: localhost processors: 4 tmpdir: /usr/tmp gpgpu: 0, Tesla V100. This indicates that the local workstation has a ... Erwin Schrödinger proposed the quantum mechanical model of the atom, which treats electrons as matter waves. Schrödinger's equation, H ^ ψ = E ψ. \hat {H}\psi=E\psi H ^ψ = E ψ. H, with, hat, on top, \psi, equals, E, \psi. , can be solved to yield a series of wave function.The Schrödinger platform integrates predictive physics-based simulation with machine learning techniques to accelerate materials design. Our iterative process is designed to accelerate evaluation and optimization of chemical matter in silico ahead of synthesis and characterization. Promising compounds emerging from successive synthetic rounds ...Maestro is an intuitive, advanced graphical user interface that provides a unified entry point for discovering molecular insights and accessing integrated solutions for: Target Validation & Structure Enablement. Hit Discovery. Lead Optimization.In Schrödinger’s series of online courses, Molecular Modeling for Materials Science Applications, we will learn workflows in Materials Science Maestro (the Schrödinger graphical user interface for materials modeling) to apply to research and development: Lessons are hands-on and applied, aimed at teaching practical use of the tools.Erwin Schrödinger proposed the quantum mechanical model of the atom, which treats electrons as matter waves. Schrödinger's equation, H ^ ψ = E ψ. \hat {H}\psi=E\psi H ^ψ = E ψ. H, with, hat, on top, \psi, equals, E, \psi. , can be solved to yield a series of wave function.The Schrödinger platform integrates predictive physics-based methods with machine learning techniques to accelerate drug discovery. Our iterative process is designed to accelerate evaluation and optimization of chemical matter in silico ahead of synthesis and assay. The most promising compounds emerging from each round of experimental project ...シュレーディンガー株式会社の採用・求人情報ページです。シュレーディンガー株式会社 最先端の計算化学 ... Erwin Rudolf Josef Alexander Schrödinger ( UK: / ˈʃrɜːdɪŋər /, US: / ˈʃroʊ -/; [2] German: [ˈɛɐ̯vɪn ˈʃʁøːdɪŋɐ]; 12 August 1887 – 4 January 1961), sometimes written as Schroedinger or Schrodinger, was a Nobel Prize–winning Austrian and naturalized Irish physicist who developed fundamental results in quantum theory. She is responsible for the business, science, and development of Schrodinger's enterprise informatics and modeling platform, LiveDesign, and has overseen its growth across the pharmaceutical industry. In addition, she leads the Discovery Informatics team to support Schrodinger's collaborative and wholly owned internal drug discovery programs.Complete Schrodinger Inc. stock information by Barron's. View real-time SDGR stock price and news, along with industry-best analysis.The Schrödinger platform integrates predictive physics-based methods with machine learning techniques to accelerate drug discovery. Our iterative process is designed to accelerate evaluation and optimization of chemical matter in silico ahead of synthesis and assay. The most promising compounds emerging from each round of experimental project ... Jun 6, 2019 · Erwin Schrodinger was one of the key figures in quantum physics, even before his famous "Schrodinger's Cat" thought experiment.He had created the quantum wave function, which was now the defining equation of motion in the universe, but the problem is that it expressed all motion in the form of a series of probabilities—something which goes in direct violation to how most scientists of the ... Schrodinger Inc. Schrödinger, Inc. engages in the provision of chemical simulation software solutions to pharmaceutical industry. It operates through the Software and Drug Discovery business ... Maestro is the graphical user interface (GUI) that is the foundation of the Schrödinger platform. Maestro is the culmination of years of research and development, led by industry-leading experts working closely with our users. Maestro was created to be the user environment that is both intuitive and allows our users to get work done efficiently.Below is the article summary. For the full article, see Erwin Schrödinger . Erwin Schrödinger, (born Aug. 12, 1887, Vienna, Austria—died Jan. 4, 1961, Vienna), Austrian physicist. He taught physics in Zürich (1921–27) and Berlin (1927–33), then left Germany, objecting to the persecution of Jews. He settled in Ireland, where he joined ... エルヴィーン・ルードルフ・ヨーゼフ・アレクサンダー・シュレーディンガー ( ドイツ語: Erwin Rudolf Josef Alexander Schrödinger [ˈɛɐ̯viːn ˈʃʁøːdɪŋɐ] 、 1887年 8月12日 - 1961年 1月4日 )は、 オーストリア 出身の 理論物理学者 。. 1926年 に 波動 形式の 量子力学 ...Schrödinger’s Protein Preparation Wizard is designed to help researchers ensure structural correctness at the outset of a project, equipping them with a high-confidence structure ideal for use with a wide variety of modeling applications. Experienced modelers know that accurate starting structures are a prerequisite for successful ...Evaluated for Certification. “Schrödinger's Introduction to Computational Antibody Engineering course is perfectly suited for molecular biologists seeking deeper insights into in silico antibody design and structure guided engineering. I particularly enjoyed the extensive therapeutic examples and the excellent scientific bibliography.”.In quantum mechanics, Schrödinger's cat is a thought experiment that illustrates a paradox of quantum superposition. In the thought experiment, a hypothetical cat may be considered simultaneously both alive and dead, while it is unobserved in a closed box, as a result of its fate being linked to a random subatomic event that may or may not occur.Dec 2, 2021 · Schrödinger has partnered with Exxact Corporation to provide pre-configured and pre-installed machines for running Desmond on GPUs. See the MD Compatible Systems page for more information.To configure your own machine, follow the instructions below.First, check that hardware and software meet the requirements: Notices will be deemed to have been duly given: (i) if personally delivered, when received; (ii) if via email to [email protected], two (2) business days after sending; confirmation of receipt requested; (iii) if sent for next day delivery by recognized overnight delivery service; two (2) business days after sending; and (iv) if sent by ...Maestro is an intuitive, advanced graphical user interface that provides a unified entry point for discovering molecular insights and accessing integrated solutions for: Target Validation & Structure Enablement. Hit Discovery. Lead Optimization.

For consciousness is absolutely fundamental. It cannot be accounted for in terms of anything else. Erwin Schrodinger. Fundamentals, Consciousness, Term. The Observer, January 11, 1931. 29 Copy quote. Multiplicity is only apparent, in truth, there is only one mind. Erwin Schrodinger. Mind, Multiplicity.. Denizbank doviz kurlari

schrodinger

Erwin Schrödinger was awarded the 1933 Nobel Prize in Physics with Paul Adrien Maurice Dirac "for the discovery of new productive forms of atomic theory." Schrodinger worked at many institutions throughout his career, including University of Vienna, University of Zurich, the Friedrich Wilhelm University of Berlin, University of Oxford, and the ...Image: Shutterstock / Built In. Schrödinger’s Cat is a thought experiment devised by the Austrian physicist Erwin Schrödinger, which he designed to illustrate a paradox of quantum superposition wherein a hypothetical cat may be considered both alive and dead simultaneously because its fate is linked to a random event that may (or may not ...This Twist on Schrödinger’s Cat Paradox Has Major Implications for Quantum Theory. A laboratory demonstration of the classic “Wigner’s friend” thought experiment could overturn cherished ...Get the latest Schrodinger Inc (SDGR) real-time quote, historical performance, charts, and other financial information to help you make more informed trading and investment decisions.Schrödinger | Schrödinger is the scientific leader in developing state-of-the-art chemical simulation software for use in pharmaceutical, biotechnology, and materials research. BOUNDLESS Open new worlds of possibility for drug discovery and materials design Explore our platformErwin Rudolf Josef Alexander Schrödinger (UK: / ˈ ʃ r ɜː d ɪ ŋ ər /, US: / ˈ ʃ r oʊ-/; German: [ˈɛɐ̯vɪn ˈʃʁøːdɪŋɐ]; 12 August 1887 – 4 January 1961), sometimes written as Schroedinger or Schrodinger, was a Nobel Prize–winning Austrian and naturalized Irish physicist who developed fundamental results in quantum theory.Real-size cat figure in the garden of Huttenstrasse 9, Zurich, where Erwin Schrödinger lived 1921 – 1926. Depending on the light conditions, the cat appears either alive or dead. Schrödinger's cat is a thought experiment about quantum physics. Erwin Schrödinger suggested it in 1935, in reaction to the Copenhagen interpretation of quantum ...OPLS4 produces accurate predictions of solvation free energies and binding free energies, leading to more accurate rank ordering among congeneric series of compounds. Virtual sites. A single atom-centered charge is often inadequate for describing the true electrostatic nature of a chemical environment. Halogen bonding, chalcogen bonding and ...Discovery workflows. Schrödinger’s drug discovery workflows enable teams to identify better drug candidates faster by digitally transforming the entire system with well-proven world-class computational solutions delivered in a centralized platform. This collaborative platform reconciled across an entire organization delivers cutting-edge ...Schrodinger approached her when he was 53 years old. Her astonished family asked a Catholic priest to intervene. As Moore’s biography explained, the priest “had a serious word with ...WaterMap is based on inhomogeneous solvation theory of Lazaridis and Karplus, J Phys Chem B 102, p3531, where enthalpy is taken directly from nonboded interactions and entropy is computed from a local expansion of spatial and orientational correlation functions. Efficiently converged MD simulations are run with explicit water molecules, and ....

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