38 citations · 74 across the 2 of their papers we have counts for
2 papers
physics.bio-ph2012★ 38 cited
Reconstructing the free-energy landscape of Met-enkephalin using dihedral Principal Component Analysis and Well-tempered Metadynamics
Francois Sicard, Patrick Senet
Well-Tempered Metadynamics (WTmetaD) is an efficient method to enhance the reconstruction of the free-energy surface of proteins. WTmetaD guarantees a faster convergence in the lon…
physics.chem-ph2010★ 36 cited
Local softness, softness dipole and polarizabilities of functional groups: application to the side chains of the twenty amino acids
Alisa Krishta, Patrick Senet, Christian Van Alsenoy
The values of molecular polarizabilities and softnesses of the twenty amino acids were computed ab initio (MP2). By using the iterative Hirshfeld scheme to partition the molecular…