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Electrostatics

Individual and Co Transport Study of Titanium Dioxide NPs and Zinc Oxide NPs in Porous Media

Jyoti Kumari, Ankita Mathur, [ ... ], Amitava Mukherjee

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

Afaf Al Lawati, Issam Ali, Muataz Al Barwani

Prediction of Cross-Recognition of Peptide-HLA A2 by Melan-A-Specific Cytotoxic T Lymphocytes Using Three-Dimensional Quantitative Structure-Activity Relationships

Theres Fagerberg, Vincent Zoete, [ ... ], Olivier Michielin

Applying an Empirical Hydropathic Forcefield in Refinement May Improve Low-Resolution Protein X-Ray Crystal Structures

Vishal N. Koparde, J. Neel Scarsdale, Glen E. Kellogg

A generic HTS assay for kinase screening: Validation for the isolation of an engineered malate kinase

Romain Irague, Christopher M. Topham, [ ... ], Magali Remaud-Siméon

Computational Tools for Interpreting Ion Channel pH-Dependence

Ivan Sazanavets, Jim Warwicker

Conformational Polymorphism of m⁷GTP in Crystal Structure of the PB2 Middle Domain from Human Influenza A Virus

Toshiharu Tsurumura, Hao Qiu, [ ... ], Hideaki Tsuge

Atomistic Detailed Mechanism and Weak Cation-Conducting Activity of HIV-1 Vpu Revealed by Free Energy Calculations

Siladitya Padhi, Raghunadha Reddy Burri, Shahid Jameel, U. Deva Priyakumar

The Loop2 Insertion of Type IX Myosin Acts as an Electrostatic Actin Tether that Permits Processive Movement

Kerstin Elfrink, Wanqin Liao, [ ... ], Martin Bähler

PEO-b-PPO star-shaped polymers enhance the structural stability of electrostatically coupled liposome/polyelectrolyte complexes

Camille E. Pinguet, Esther Ryll, [ ... ], Felix A. Plamper

Probing inhibition mechanisms of adenosine deaminase by using molecular dynamics simulations

Xiaopian Tian, Ye Liu, [ ... ], Weiwei Han

Interspecies Variation in the Functional Consequences of Mutation of Cytochrome c

Tracy M. Josephs, Moira E. Hibbs, [ ... ], Elizabeth C. Ledgerwood

New compounds from heterocyclic amines scaffold with multitarget inhibitory activity on Aβ aggregation, AChE, and BACE1 in the Alzheimer disease

Iohanan Daniel García Marín, Raúl Horacio Camarillo López, [ ... ], Martha Cecilia Rosales-Hernández

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