Martin Karplus

Research topics

• Protein Structure and Dynamics · 2 papers
• Enzyme Structure and Function · 2 papers
• Mass Spectrometry Techniques and Applications · 1 paper
• Crystallography and molecular interactions · 1 paper

Frequent co-authors

• Bernard R. Brooks · 1 paper
• Robert E. Bruccoleri · 1 paper
• Barry D. Olafson · 1 paper
• David J. States · 1 paper
• Swami Swaminathan · 1 paper
• Alexander D. MacKerell · 1 paper
• Donald Bashford · 1 paper
• M. Bellott · 1 paper

Papers

1. CHARMM : A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry · 1983 · 15,033 citations

   Abstract CHARMM ( C hemistry at HAR vard M acromolecular M echanics) is a highly flexible computer program which uses empirical energy functions to model macromolecular systems. The program can read or model build structures, energy minimize them by first‐…

2. All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of ProteinsThe Journal of Physical Chemistry B · 1998 · 14,683 citations

   New protein parameters are reported for the all-atom empirical energy function in the CHARMM program. The parameter evaluation was based on a self-consistent approach designed to achieve a balance between the internal (bonding) and interaction (nonbonding) terms of the force…