Extension of the CHARMM general force field to sulfonyl-containing compounds and its utility in biomolecular simulations

Inhibition of Tobacco Bacterial Wilt with Sulfone Derivatives Containing an 1,3,4-Oxadiazole Moiety

(2011) Wei-Ming Xu et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

CHARMM Additive All-Atom Force Field for Carbohydrate Derivatives and Its Utility in Polysaccharide and Carbohydrate–Protein Modeling

(2011) Olgun Guvench et al.   Journal of Chemical Theory and Computation

Optimization of the CHARMM Additive Force Field for DNA: Improved Treatment of the BI/BII Conformational Equilibrium

(2011) Katarina Hart et al.   Journal of Chemical Theory and Computation

Impact of 2′-hydroxyl sampling on the conformational properties of RNA: Update of the CHARMM all-atom additive force field for RNA

(2011) Elizabeth J. Denning et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Synthesis of Sulfonamide-Bridged Glycomimetics

(2011) Marie Lopez et al.   JOURNAL OF ORGANIC CHEMISTRY

Design, Synthesis, and Validation of a β-Turn Mimetic Library Targeting Protein–Protein and Peptide–Receptor Interactions

(2011) Landon R. Whitby et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Recent developments and applications of the CHARMM force fields

(2011) Xiao Zhu et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Update 1 of: Beta-Strand Mimetics

(2010) Wendy A. Loughlin et al.   CHEMICAL REVIEWS

Atomistic Simulation Study of Linear Alkylbenzene Sulfonates at the Water/Air Interface

(2010) Xibing He et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

(2010) Jeffery B. Klauda et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Ionic Liquid-Induced Unprecedented Size Enhancement of Aggregates within Aqueous Sodium Dodecylbenzene Sulfonate

(2010) Rewa Rai et al.   LANGMUIR

Anion Exchange Membranes by Bromination of Benzylmethyl-Containing Poly(sulfone)s

(2010) Jingling Yan et al.   MACROMOLECULES

The sulfonamide motif as a synthetic tool

(2010) Jonathan D. Wilden   JOURNAL OF CHEMICAL RESEARCH

Sulfonate-Containing Thiiranes as Selective Gelatinase Inhibitors

(2010) Sebastian A. Testero et al.   ACS Medicinal Chemistry Letters

CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses

(2009) Olgun Guvench et al.   Journal of Chemical Theory and Computation

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Experimental, ab initio and density functional theory studies on sulfadiazine

(2009) Gulce Ogruc-Ildiz et al.   JOURNAL OF MOLECULAR STRUCTURE

Molecular structure, pKa, lipophilicity, solubility and absorption of biologically active aromatic and heterocyclic sulfonamides

(2009) Milan Remko   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Conformational and Vibrational Analysis of Methyl Methanesulfonate, CH3SO2OCH3

(2009) María E. Tuttolomondo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Orientation of hydrogen bond in H-complexes of sulfones and sulfonamides

(2009) L. P. Oznobikhina et al.   RUSSIAN JOURNAL OF GENERAL CHEMISTRY

Additive empirical force field for hexopyranose monosaccharides

(2008) Olgun Guvench et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Molecular Structure and Conformations ofpara-Methylbenzene Sulfonamide andortho-Methylbenzene Sulfonamide:  Gas Electron Diffraction and Quantum Chemical Calculations Study

(2008) Vjacheslav M. Petrov et al.   JOURNAL OF PHYSICAL CHEMISTRY A