PMFF: Development of a Physics-based Molecular Force Field for Protein Simulation and Ligand Docking

The physics-based molecular force field (PMFF) was developed by integrating a set of potential energy functions in which each term in an intermolecular potential energy function is derived based on experimental values, such as the dipole moments, lattice energy, proton transfer energy, and X-ray cry...

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Detalhes bibliográficos
Publicado no:J Phys Chem B
Main Authors: Hwang, SB, Lee, CJ, Lee, S, Ma, S, Kang, YM, Cho, KH, Kim, SY, Kwon, OY, Yoon, CN, Kang, YK, Yoon, JH, Nam, KY, Kim, SG, In, Y, Chai, HH, Acree, WE, Grant, JA, Gibson, KD, Jhon, MS, Scheraga, HA, No, KT
Formato: Artigo
Idioma:Inglês
Publicado em: 2020
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Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7217328/
https://ncbi.nlm.nih.gov/pubmed/31939671
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.9b10339
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