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6 results in Keywords: Protein Structure Prediction

Theoretical and Computational Chemistry

Systematic comparison of Amber and Rosetta energy functions for protein structure evaluation.

Aliza Rubenstein, Kristin Blacklock, Hai Nguyen, David Case, Sagar Khare

Version 2 posted 04 April 2018

1,547

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Theoretical and Computational Chemistry

Improved Sampling Strategies for Protein Model Refinement based on Molecular Dynamics Simulation

Lim Heo, Collin Arbour, Michael Feig

Version 1 posted 01 December 2020

672

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Physical Chemistry

Molecular Mechanism of Spectral Tuning by Chloride Binding in Monkey Green Sensitive Visual Pigment

Kazuhiro J. Fujimoto, Fumika Minowa, Michiya Nishina, Shunta Nakamura, Sayaka Ohashi, Kota Katayama, Hideki Kandori, Takeshi Yanai

Version 1 posted 28 November 2022

133

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Theoretical and Computational Chemistry

Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery

Yuqi Zhang, Marton Vass, Da Shi, Esam Abualrous, Jenny Chambers, Nikita Chopra, Chris Higgs, Koushik Kasavajhala, Hubert Li, Prajwal Nandekar, Hideyuki Sato, Edward Miller, Matt Repasky, Steven Jerome

Version 2 posted 27 June 2022

2,677

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4

Citations

Biological and Medicinal Chemistry

Flawed methods in “COVID-19: Attacks the 1-Beta Chain of Hemoglobin and Captures the Porphyrin to Inhibit Human Heme Metabolism”

Version 2 posted 05 May 2020

5,212

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8

Citations

Theoretical and Computational Chemistry

PySSA: end-user protein structure prediction and visual analysis with ColabFold and PyMOL

Hannah Kullik, Martin Urban, Jonas Schaub, Angelika Loidl-Stahlhofen, Achim Zielesny

Version 1 posted 10 July 2024

155

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