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Electrostatics

A general and Robust Ray-Casting-Based Algorithm for Triangulating Surfaces at the Nanoscale

Sergio Decherchi, Walter Rocchia

Global Conformational Selection and Local Induced Fit for the Recognition between Intrinsic Disordered p53 and CBP

Qingfen Yu, Wei Ye, Wei Wang, Hai-Feng Chen

Insight the C-Site Pocket Conformational Changes Responsible for Sirtuin 2 Activity Using Molecular Dynamics Simulations

Sugunadevi Sakkiah, Mahreen Arooj, Guang Ping Cao, Keun Woo Lee

Molecular Modeling of Disease Causing Mutations in Domain C1 of cMyBP-C

Poornima Gajendrarao, Navaneethakrishnan Krishnamoorthy, [ ... ], Magdi H. Yacoub

A Quantitative Measure of Electrostatic Perturbation in Holo and Apo Enzymes Induced by Structural Changes

Sandeep Chakraborty

Evaluating the Effect of Ionic Strength on Duplex Stability for PNA Having Negatively or Positively Charged Side Chains

N. Tilani S. De Costa, Jennifer M. Heemstra

Game On, Science - How Video Game Technology May Help Biologists Tackle Visualization Challenges

Zhihan Lv, Alex Tek, [ ... ], Marc Baaden

Protein-Protein Docking with F²Dock 2.0 and GB-Rerank

Rezaul Chowdhury, Muhibur Rasheed, [ ... ], Chandrajit Bajaj

Parallel Screening of Wild-Type and Drug-Resistant Targets for Anti-Resistance Neuraminidase Inhibitors

Kai-Cheng Hsu, Hui-Chen Hung, [ ... ], John T.-A. Hsu

An Advanced Coarse-Grained Nucleosome Core Particle Model for Computer Simulations of Nucleosome-Nucleosome Interactions under Varying Ionic Conditions

Yanping Fan, Nikolay Korolev, Alexander P. Lyubartsev, Lars Nordenskiöld

Identification of PPARgamma Partial Agonists of Natural Origin (II): In Silico Prediction in Natural Extracts with Known Antidiabetic Activity

Laura Guasch, Esther Sala, [ ... ], Santiago Garcia-Vallvé

Identification of Inhibitor Binding Site in Human Sirtuin 2 Using Molecular Docking and Dynamics Simulations

Sugunadevi Sakkiah, Mahreen Arooj, [ ... ], Keun Woo Lee

Effect of Temperature and Capsid Tail on the Packing and Ejection of Viral DNA

Afaf Al Lawati, Issam Ali, Muataz Al Barwani

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