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Publications by Arieh Warshel

On the Control of the Proton Current in the Voltage-Gated Proton Channel Hv1

Proceedings of the National Academy of Sciences of the United States of America

Multidisciplinary

English

Simulating the Function of Sodium/Proton Antiporters

Proceedings of the National Academy of Sciences of the United States of America

Multidisciplinary

English

Multiscale Modeling of Biological Functions: From Enzymes to Molecular Machines (Nobel Lecture)

Angewandte Chemie - International Edition

English

Simulating the Dynamics of the Mechanochemical Cycle of Myosin-V

Proceedings of the National Academy of Sciences of the United States of America

Multidisciplinary

English

Dissecting the Role of the Γ-Subunit in the Rotary–chemical Coupling and Torque Generation of F1-ATPase

Proceedings of the National Academy of Sciences of the United States of America

Multidisciplinary

English

Absolute Binding Free Energy Calculations: On the Accuracy of Computational Scoring of Protein-Ligand Interactions

Proteins: Structure, Function and Genetics

Structural Biology

Molecular Biology

English

Validating the Vitality Strategy for Fighting Drug Resistance

Proteins: Structure, Function and Genetics

Structural Biology

Molecular Biology

English

The Physics and Physical Chemistry of Molecular Machines

Theoretical Chemistry

Molecular Physics,

English

Reorganization Energy of the Initial Electron-Transfer Step in Photosynthetic Bacterial Reaction Centers

Biophysical Journal

English

On Possible Pitfalls in Ab Initio Quantum Mechanics/Molecular Mechanics Minimization Approaches for Studies of Enzymatic Reactions

Journal of Physical Chemistry B

Theoretical Chemistry

Materials Chemistry

English