Karplus, Martin

Absolute Binding Free Energies: A Quantitative Approach for Their Calculation

Boresch, S., Tettinger, F., Leitgeb, M., & Karplus, M. (2003) · The Journal of Physical Chemistry B

Computational Drug Discovery MethodsAdvanced Physical and Chemical Molecular Interactions

Cited by 569

Zinc binding in proteins and solution: A simple but accurate nonbonded representation

Stote, R. H., & Karplus, M. (1995) · Proteins: Structure, Function, and Bioinformatics

Protein Structure and DynamicsAdvanced Chemical Physics Studies

Cited by 354

Structure of a repair enzyme interrogating undamaged DNA elucidates recognition of damaged DNA

Banerjee, A., Yang, W., Karplus, M., & Verdine, G. L. (2005) · Nature

DNA Repair MechanismsEnzyme Structure and Function

Cited by 346

Is a “Proton Wire” Concerted or Stepwise? A Model Study of Proton Transfer in Carbonic Anhydrase

Cui, Q., & Karplus, M. (2003) · The Journal of Physical Chemistry B

Enzyme function and inhibitionPhysical Organic Chemistry and Reaction Kinetics

Cited by 164

Force Generation in Kinesin Hinges on Cover-Neck Bundle Formation

Hwang, W., Lang, M. J., & Karplus, M. (2008) · Structure

Microtubule and mitosis dynamicsProtein Structure and Dynamics

Cited by 161

A gating mechanism of pentameric ligand-gated ion channels

Calimet, N., Simoes, M., Changeux, J.-P., Karplus, M., Taly, A., & Cecchini, M. (2013) · Proceedings of the National Academy of Sciences

Nicotinic Acetylcholine Receptors StudyIon channel regulation and function

Cited by 150

CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed

Hwang, W., Austin, S. L., Blondel, A., Boittier, E. D., Boresch, S., Buck, M., Buckner, J., Caflisch, A., Chang, H.-T., Cheng, X., et al. (2024) · The Journal of Physical Chemistry B

Protein Structure and DynamicsAdvanced Physical and Chemical Molecular Interactions

Cited by 136

Conformation of retinal isomers

Rowan, R., Warshel, A., Skyes, B. D., & Karplus, M. (1974) · Biochemistry

Photoreceptor and optogenetics researchProtein Structure and Dynamics

Cited by 95