関連する実験動画

Updated: Sep 10, 2025

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

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コンピュータによる薬物発見における分子シミュレーションのための機械学習の可能性の基本的安定性テスト

Kavindri Ranasinghe1,2, Adam L Baskerville2, Geoffrey P F Wood1,2

  • 1Recursion, Schrödinger Building, Oxford Science Park, Oxford OX4 4GE, U.K.

Journal of chemical information and modeling
|August 27, 2025
PubMed
まとめ

ニューラルネットワークのポテンシャルでは 素早い分子シミュレーションが可能ですが 慎重にテストする必要があります この研究では,様々なモデルが評価され,安定性と精度において大きな違いが見られ,アプリケーションの厳格な選択の必要性が強調されています.

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The Equilibrium Binding Constant and Binding Strength02:18

The Equilibrium Binding Constant and Binding Strength

The equilibrium binding constant (Kb) quantifies the strength of a protein-ligand interaction. Kb can be calculated as follows when the reaction is at equilibrium:
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Multimachine stability analysis is crucial for understanding the dynamics and stability of power systems with multiple synchronous machines. The objective is to solve the swing equations for a network of M machines connected to an N-bus power system.
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In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...
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