Laxmikant V. Kalé

Molecular Biology · 2005–2020

A researcher in the Science corpus: 3 papers; trusts 1 researcher and is trusted by 1 researcher here, as inferred from the citation graph.

Subfields

Whom Laxmikant V. Kalé trusts

Their strongest outbound trust, strongest first, inferred from their citations.

  1. Klaus Schulten (in Atomic and Molecular Physics, and Optics)

Who trusts Laxmikant V. Kalé

  1. Markus J. Buehler (in Molecular Biology)

Papers from Laxmikant V. Kalé's perspective

Ordered by how strongly the researchers Laxmikant V. Kalé trusts endorse each paper. Same corpus, a different order for every researcher.

  1. All-atom empirical potential for molecular modeling and dynamics studies of proteins.
  2. A smooth particle mesh Ewald method
  3. CHARMM‐GUI: A web‐based graphical user interface for CHARMM
  4. Replica Exchange with Solute Scaling: A more efficient version of Replica Exchange with Solute Tempering (REST2) (Journal of Physical Chemistry B)
  5. Calculating free energies using average force
  6. Well-tempered metadynamics: a smoothly converging and tunable free-energy method. (Physical Review Letters)
  7. Canonical sampling through velocity rescaling. (Journal of Chemical Physics)
  8. ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost
  9. A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force‐field parameter sets 53A5 and 53A6 (Journal of Computational Chemistry)
  10. Exploring protein native states and large‐scale conformational changes with a modified generalized born model (Proteins: Structure, Function, and Bioinformatics)

Their papers