Work

CHARMM additive and polarizable force fields for biophysics and computer-aided drug design

Year: 2014

Type: review

Source: Biochimica et Biophysica Acta (BBA) - General Subjects

DOI: 10.1016/j.bbagen.2014.08.004

Authors: K. Vanommeslaeghe, A.D. MacKerell

Institution: University of Maryland, Baltimore

Language: English

Topic: Protein Structure and Dynamics

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: green

Funders: National Science Foundation, Samuel Waxman Cancer Research Foundation, National Institutes of Health, National Institute of General Medical Sciences

Awards: G1027745422, Collaborative Research: CRIF: CRF: Extensible Cyberenvironments for Empirical and Semiempirical Hamiltonian Parameter Optimization and Dissemination, Polarizable Force Field for Proteins and Lipids, Oligonucleotide Conformational Heterogeneity, G257819028, G5679312809, HALOGEN FREE ENERGY DATABASE FOR RATIONAL DRUG DESIGN, Carbohydrate force fields for structure, dynamics and molecular recognition, G9000087228, G9000305749

OpenAlex ID: W2076497939

FWCI: 1.601

Cites: 115

Cited by: 293

Related to: 10