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#TitleJournalYearCitations
1CHARMM: The biomolecular simulation programJournal of Computational Chemistry20097,077
2CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fieldsJournal of Computational Chemistry20104,718
3CHARMM36m: an improved force field for folded and intrinsically disordered proteinsNature Methods20173,959
4Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral AnglesJournal of Chemical Theory and Computation20123,696
5Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulationsJournal of Computational Chemistry20043,145
6CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR dataJournal of Computational Chemistry20132,613
7CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force FieldJournal of Chemical Theory and Computation20162,567
8All-atom empirical force field for nucleic acids: I. Parameter optimization based on small molecule and condensed phase macromolecular target dataJournal of Computational Chemistry20001,460
9Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom TypingJournal of Chemical Information and Modeling20121,409
10Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic ChargesJournal of Chemical Information and Modeling20121,278
11Empirical force fields for biological macromolecules: Overview and issuesJournal of Computational Chemistry20041,134
12Development and current status of the CHARMM force field for nucleic acidsBiopolymers2000923
13Improved Treatment of the Protein Backbone in Empirical Force FieldsJournal of the American Chemical Society2004912
14Trends in the Prescribing of Psychotropic Medications to PreschoolersJAMA - Journal of the American Medical Association2000729
15An Improved Empirical Potential Energy Function for Molecular Simulations of PhospholipidsJournal of Physical Chemistry B2000729
16All-atom empirical force field for nucleic acids: II. Application to molecular dynamics simulations of DNA and RNA in solutionJournal of Computational Chemistry2000701
17Extension of the CHARMM general force field to sulfonyl‐containing compounds and its utility in biomolecular simulationsJournal of Computational Chemistry2012659
18A polarizable model of water for molecular dynamics simulations of biomoleculesChemical Physics Letters2006548
19Optimization of the CHARMM Additive Force Field for DNA: Improved Treatment of the BI/BII Conformational EquilibriumJournal of Chemical Theory and Computation2012464
20Biopharmaceutics classification system: the scientific basis for biowaiver extensionsPharmaceutical Research2002460
21Effects of nonionic surfactants on membrane transporters in Caco-2 cell monolayersEuropean Journal of Pharmaceutical Sciences2002439
22An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent ApplicationsChemical Reviews2016434
23Molecular Dynamics Studies of Polyethylene Oxide and Polyethylene Glycol: Hydrodynamic Radius and Shape AnisotropyBiophysical Journal2008415
24Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force FieldsChemical Reviews2019386
25Amyloid- -Induced Pathological Behaviors Are Suppressed by Ginkgo biloba Extract EGb 761 and Ginkgolides in Transgenic Caenorhabditis elegansJournal of Neuroscience2006359
26Assessment of independent effect of olanzapine and risperidone on risk of diabetes among patients with schizophrenia: population based nested case-control studyBMJ: British Medical Journal2002343
27Impact of 2′‐hydroxyl sampling on the conformational properties of RNA: Update of the CHARMM all‐atom additive force field for RNAJournal of Computational Chemistry2011341
28Prevention and Treatment of MonkeypoxDrugs2022332
29Polarizable Force Field for Peptides and Proteins Based on the Classical Drude OscillatorJournal of Chemical Theory and Computation2013329
30Importance of the CMAP Correction to the CHARMM22 Protein Force Field: Dynamics of Hen LysozymeBiophysical Journal2006321
31Computer-Aided Drug Design MethodsMethods in Molecular Biology2017317
32Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability: theory and applicationsTheoretical Chemistry Accounts2009314
33A Type VI Secretion-Related Pathway in Bacteroidetes Mediates Interbacterial AntagonismCell Host and Microbe2014311
34An ab Initio Study on the Torsional Surface of Alkanes and Its Effect on Molecular Simulations of Alkanes and a DPPC BilayerJournal of Physical Chemistry B2005303
35Exogenous cannabinoids as substrates, inhibitors, and inducers of human drug metabolizing enzymes: a systematic reviewDrug Metabolism Reviews2014278
36Chemotherapy and Survival Benefit in Elderly Patients With Advanced Non–Small-Cell Lung CancerJournal of Clinical Oncology2010271
37A Small-Molecule Inhibitor of BCL6 Kills DLBCL Cells In Vitro and In VivoCancer Cell2010263
38Internal tandem duplication of FLT3 (FLT3/ITD) induces increased ROS production, DNA damage, and misrepair: implications for poor prognosis in AMLBlood2008262
39Psychoactive drug abuse in older adultsAmerican Journal of Geriatric Pharmacotherapy2006249
40High-Performance Scalable Molecular Dynamics Simulations of a Polarizable Force Field Based on Classical Drude Oscillators in NAMDJournal of Physical Chemistry Letters2011233
41An Assessment of the Independent Effects of Olanzapine and Risperidone Exposure on the Risk of Hyperlipidemia in Schizophrenic PatientsArchives of General Psychiatry2002227
42Cost-of-Illness StudiesPharmacoeconomics2006226
43CHARMM additive and polarizable force fields for biophysics and computer-aided drug designBiochimica Et Biophysica Acta - General Subjects2015223
44Recruitment and participation in clinical trials: Socio-demographic, rural/urban, and health care access predictorsCancer Detection and Prevention2006214
45CHARMM-GUI PDB Manipulator for Advanced Modeling and Simulations of Proteins Containing Nonstandard ResiduesAdvances in Protein Chemistry and Structural Biology2014214
46Recent Advances in Ligand-Based Drug Design: Relevance and Utility of the Conformationally Sampled Pharmacophore ApproachCurrent Computer-Aided Drug Design2011210
47An Interbacterial NAD(P)+ Glycohydrolase Toxin Requires Elongation Factor Tu for Delivery to Target CellsCell2015203
48Sustained virologic control in SIV + macaques after antiretroviral and α 4 β 7 antibody therapyScience2016194
49Polarizable Empirical Force Field for Alkanes Based on the Classical Drude Oscillator ModelJournal of Physical Chemistry B2005193
50Genetically distinct pathways guide effector export through the type VI secretion systemMolecular Microbiology2014192