Concepedia
Journal of Molecular Structure · 2022 · 76 citations · 46 references
PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryStructure-activity RelationshipsAntimicrobial Drug InteractionsAntimalarial AgentsAntimalarial ChemotherapyAntimalarial Drug DevelopmentAntimicrobial PropertiesNovel Antibacterial Agents
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Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
William L. Jorgensen, David S. Maxwell, Julian Tirado‐Rives · Journal of the American Chemical Society · 1996 · 15.3K citations
Natural Sciences, Chemistry, Physics +17
Agar and broth dilution methods to determine the minimal inhibitory concentration (MIC) of antimicrobial substances
Irith Wiegand, Kai Hilpert, Robert E. W. Hancock · Nature Protocols · 2008 · 6.1K citations
Life Sciences, Microbiology, Antimicrobial Resistance +12
Quantitative assessment of antimalarial activity in vitro by a semiautomated microdilution technique
R. E. Desjardins, Craig J. Canfield, J. David Haynes et al. · Antimicrobial Agents and Chemotherapy · 1979 · 2.5K citations · Full text
Medicine, Infectious Diseases, Pharmacology +17
Remarks on ‘‘Constant-temperature molecular dynamics with momentum conservation’’
Glenn Martyna · Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics · 1994 · 157 citations
Natural Sciences, Physics, Computational Physics +12
Constant pressure-constant temperature molecular dynamics: a correct constrained <i>NPT</i> ensemble using the molecular virial
Galina Kalibaeva, Mauro Ferrario, Giovanni Ciccotti · Molecular Physics · 2003 · 153 citations · Full text
Natural Sciences, Chemistry, Physics +15