Published in J Phys Chem B on September 02, 2010
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Kirkwood-Buff analysis of aqueous N-methylacetamide and acetamide solutions modeled by the CHARMM additive and Drude polarizable force fields. J Chem Phys (2013) 0.81
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A comparative Kirkwood-Buff study of aqueous methanol solutions modeled by the CHARMM additive and Drude polarizable force fields. J Phys Chem B (2013) 0.76
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Solvation free energies of amino acid side chain analogs for common molecular mechanics water models. J Chem Phys (2005) 2.76
Polarizable empirical force field for alkanes based on the classical Drude oscillator model. J Phys Chem B (2005) 2.56
Small molecule hydration free energies in explicit solvent: An extensive test of fixed-charge atomistic simulations. J Chem Theory Comput (2009) 2.53
Comparison of efficiency and bias of free energies computed by exponential averaging, the Bennett acceptance ratio, and thermodynamic integration. J Chem Phys (2005) 2.31
Comparison of charge models for fixed-charge force fields: small-molecule hydration free energies in explicit solvent. J Phys Chem B (2007) 2.31
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Polarizable empirical force field for the primary and secondary alcohol series based on the classical Drude model. J Chem Theory Comput (2007) 1.86
Hydration thermodynamic properties of amino acid analogues: a systematic comparison of biomolecular force fields and water models. J Phys Chem B (2006) 1.84
Polarizable empirical force field for aromatic compounds based on the classical drude oscillator. J Phys Chem B (2007) 1.77
Recent applications of Kirkwood-Buff theory to biological systems. Cell Biochem Biophys (2007) 1.61
Atomic Level Anisotropy in the Electrostatic Modeling of Lone Pairs for a Polarizable Force Field Based on the Classical Drude Oscillator. J Chem Theory Comput (2006) 1.41
A Kirkwood-Buff derived force field for methanol and aqueous methanol solutions. J Phys Chem B (2005) 1.40
Molecular dynamics study of hydration in ethanol-water mixtures using a polarizable force field. J Phys Chem B (2005) 1.39
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A Kirkwood-Buff derived force field for amides. J Comput Chem (2006) 1.35
SM6: A Density Functional Theory Continuum Solvation Model for Calculating Aqueous Solvation Free Energies of Neutrals, Ions, and Solute-Water Clusters. J Chem Theory Comput (2005) 1.31
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Structure, thermodynamics, and liquid-vapor equilibrium of ethanol from molecular-dynamics simulations using nonadditive interactions. J Chem Phys (2005) 1.27
Accurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude Polarizable Force Field. J Chem Theory Comput (2010) 1.24
Revised charge equilibration potential for liquid alkanes. J Phys Chem B (2008) 1.21
A nonadditive methanol force field: bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model. J Chem Phys (2005) 1.21
A Kirkwood-Buff derived force field for the simulation of aqueous guanidinium chloride solutions. J Chem Phys (2004) 1.19
Critical analysis and extension of the Hirshfeld atoms in molecules. J Chem Phys (2007) 1.17
The polarizability of point-polarizable water models: density functional theory/molecular mechanics results. J Phys Chem B (2008) 1.11
A generalization of the charge equilibration method for nonmetallic materials. J Chem Phys (2006) 1.04
Molecular dynamics simulations of liquid methanol and methanol-water mixtures with polarizable models. J Comput Chem (2006) 1.04
Methanol-water solutions: a bi-percolating liquid mixture. J Chem Phys (2004) 0.98
Origin and control of superlinear polarizability scaling in chemical potential equalization methods. J Chem Phys (2008) 0.96
Polarization response of water and methanol investigated by a polarizable force field and density functional theory calculations: implications for charge transfer. J Chem Phys (2005) 0.92
Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model. J Chem Phys (2009) 0.91
Thermodynamic and structural properties of methanol-water solutions using nonadditive interaction models. J Comput Chem (2008) 0.88
Electrostatic polarization effects and hydrophobic hydration in ethanol-water solutions from molecular dynamics simulations. J Phys Chem B (2009) 0.88
Evaluation of the molecular polarizability using the IPPP-CLOPPA-INDO/S method. Application to molecules of biological interest. J Phys Chem A (2008) 0.87
A Hirshfeld partitioning of polarizabilities of water clusters. J Chem Phys (2006) 0.84
Effect of Structural Parameters on the Polarizabilities of Methanol Clusters: A Hirshfeld Study. J Chem Theory Comput (2008) 0.84
Interfacial structure, thermodynamics, and electrostatics of aqueous methanol solutions via molecular dynamics simulations using charge equilibration models. J Phys Chem B (2009) 0.80
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Transcriptional maps of 10 human chromosomes at 5-nucleotide resolution. Science (2005) 16.82
Unbiased mapping of transcription factor binding sites along human chromosomes 21 and 22 points to widespread regulation of noncoding RNAs. Cell (2004) 16.15
Finishing a whole-genome shotgun: release 3 of the Drosophila melanogaster euchromatic genome sequence. Genome Biol (2002) 8.07
The transposable elements of the Drosophila melanogaster euchromatin: a genomics perspective. Genome Biol (2002) 5.80
Optically modulated fluorophores for selective fluorescence signal recovery. J Am Chem Soc (2009) 1.35
Hydration free energies of monovalent ions in transferable intermolecular potential four point fluctuating charge water: an assessment of simulation methodology and force field performance and transferability. J Chem Phys (2007) 1.29
Revised charge equilibration potential for liquid alkanes. J Phys Chem B (2008) 1.21
The Anti-inflammatory and Matrix Restorative Mechanisms of Platelet-Rich Plasma in Osteoarthritis: Letter to the Editor. Am J Sports Med (2014) 1.10
Molecular dynamics simulations of a DMPC bilayer using nonadditive interaction models. Biophys J (2009) 1.06
Platelet-rich plasma for knee osteoarthritis. Am J Sports Med (2013) 1.06
Pediatric femoral neck fractures: our 10 years of experience. Clin Orthop Surg (2011) 1.01
Electrostatic properties of aqueous salt solution interfaces: a comparison of polarizable and nonpolarizable ion models. J Phys Chem B (2008) 1.00
Bispectral index monitoring of conscious sedation with the combination of meperidine and midazolam during endoscopy. Clin Gastroenterol Hepatol (2007) 0.98
Origin and control of superlinear polarizability scaling in chemical potential equalization methods. J Chem Phys (2008) 0.96
Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface. J Chem Theory Comput (2009) 0.94
Multicenter trial evaluating the use of covered self-expanding metal stents in benign biliary strictures: time to revisit our therapeutic options? J Clin Gastroenterol (2013) 0.92
Complications associated with foot and ankle arthroscopy. J Foot Ankle Surg (2011) 0.91
Tuberculosis of symphysis pubis in a 17 year old male: a rare case presentation and review of literature. J Orthop Surg Res (2010) 0.91
Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model. J Chem Phys (2009) 0.91
Free energetics of arginine permeation into model DMPC lipid bilayers: coupling of effective counterion concentration and lateral bilayer dimensions. J Phys Chem B (2013) 0.90
Tibial fixation in anterior cruciate ligament reconstruction: a prospective randomized study comparing metal interference screw and staples with a centrally placed polyethylene screw and sheath. Am J Sports Med (2011) 0.90
Perioperative complications of the Agility total ankle replacement in 50 initial, consecutive cases. J Foot Ankle Surg (2006) 0.88
Thermodynamic and structural properties of methanol-water solutions using nonadditive interaction models. J Comput Chem (2008) 0.88
Temperature dependence and energetics of single ions at the aqueous liquid-vapor interface. J Phys Chem B (2013) 0.88
First metatarsophalangeal joint arthrodesis and revision arthrodesis. Clin Podiatr Med Surg (2009) 0.88
Electrostatic polarization effects and hydrophobic hydration in ethanol-water solutions from molecular dynamics simulations. J Phys Chem B (2009) 0.88
Role of electrostatics in modulating hydrophobic interactions and barriers to hydrophobic assembly. J Phys Chem B (2010) 0.87
Anatomic guidance for ablation: atrial flutter, fibrillation, and outflow tract ventricular tachycardia. Indian Pacing Electrophysiol J (2010) 0.86
Structural and Thermodynamic Insight into Spontaneous Membrane-Translocating Peptides Across Model PC/PG Lipid Bilayers. J Membr Biol (2014) 0.85
Mirror foot and our surgical experience: a case report and literature review. Foot (Edinb) (2010) 0.85
Platelet-rich plasma intra-articular knee injections for the treatment of degenerative cartilage lesions and osteoarthritis. Knee Surg Sports Traumatol Arthrosc (2010) 0.84
Free energetics and the role of water in the permeation of methyl guanidinium across the bilayer-water interface: insights from molecular dynamics simulations using charge equilibration potentials. J Phys Chem B (2013) 0.84
Water Permeation Through DMPC Lipid Bilayers using Polarizable Charge Equilibration Force Fields. Chem Phys Lett (2011) 0.83
Solvation properties of N-acetyl-β-glucosamine: molecular dynamics study incorporating electrostatic polarization. J Comput Chem (2011) 0.82
Solvation Structure and Energetics of Single Ions at the Aqueous Liquid-Vapor Interface. Chem Phys Lett (2012) 0.82
Binding structures of tri-N-acetyl-β-glucosamine in hen egg white lysozyme using molecular dynamics with a polarizable force field. J Comput Chem (2012) 0.82
Molecular dynamics simulations of nonpolarizable inorganic salt solution interfaces: NaCl, NaBr, and NaI in transferable intermolecular potential 4-point with charge dependent polarizability (TIP4P-QDP) water. J Chem Phys (2010) 0.81
Role of spatial ionic distribution on the energetics of hydrophobic assembly and properties of the water/hydrophobe interface. Phys Chem Chem Phys (2012) 0.81
Molecular dynamics simulations of aqueous ions at the liquid-vapor interface accelerated using graphics processors. J Comput Chem (2010) 0.79
General surgical adverse events in a UK district general hospital-lessons to learn. Int J Surg (2010) 0.79
Spherical monovalent ions at aqueous liquid-vapor interfaces: interfacial stability and induced interface fluctuations. J Phys Chem B (2013) 0.79
Free energetics of carbon nanotube association in pure and aqueous ionic solutions. J Phys Chem B (2012) 0.79
Protein denaturants at aqueous-hydrophobic interfaces: self-consistent correlation between induced interfacial fluctuations and denaturant stability at the interface. J Phys Chem B (2014) 0.79
Charge equilibration force fields for molecular dynamics simulations of lipids, bilayers, and integral membrane protein systems. Biochim Biophys Acta (2011) 0.79
Free energetics of rigid body association of ubiquitin binding domains: a biochemical model for binding mediated by hydrophobic interaction. Proteins (2014) 0.79
A 12-year-old Child with Trichinellosis, Pyomyositis and Secondary Osteomyelitis. J Glob Infect Dis (2012) 0.78
Charge equilibration force fields for lipid environments: applications to fully hydrated DPPC bilayers and DMPC-embedded gramicidin A. J Phys Chem B (2009) 0.78
Ion-specific induced fluctuations and free energetics of aqueous protein hydrophobic interfaces: toward connecting to specific-ion behaviors at aqueous liquid-vapor interfaces. J Phys Chem B (2014) 0.78
Liquid-vapor interfacial properties of aqueous solutions of guanidinium and methyl guanidinium chloride: influence of molecular orientation on interface fluctuations. J Phys Chem B (2013) 0.78
Translocation thermodynamics of linear and cyclic nonaarginine into model DPPC bilayer via coarse-grained molecular dynamics simulation: implications of pore formation and nonadditivity. J Phys Chem B (2014) 0.77
Variation of ion polarizability from vacuum to hydration: insights from Hirshfeld partitioning. J Phys Chem A (2010) 0.77
Endoscopic management of metastatic synovial sarcoma to the pancreas. Pancreas (2006) 0.77
Reconciling structural and thermodynamic predictions using all-atom and coarse-grain force fields: the case of charged oligo-arginine translocation into DMPC bilayers. J Phys Chem B (2014) 0.77
Revised Charge Equilibration Parameters for More Accurate Hydration Free Energies of Alkanes. Chem Phys Lett (2010) 0.77
Novel clinical features in pontine tegmental cap dysplasia. Pediatr Neurol (2012) 0.77
Study of fluid ingress through clear corneal incisions following phacoemulsification with or without the use of a hydrogel ocular bandage: a prospective comparative randomised study. Acta Ophthalmol (2014) 0.76
Structural, dynamic, and electrostatic properties of fully hydrated DMPC bilayers from molecular dynamics simulations accelerated with graphical processing units (GPUs). J Comput Chem (2011) 0.76
Protein-spanning water networks and implications for prediction of protein-protein interactions mediated through hydrophobic effects. Proteins (2014) 0.76
Association of alkanes with the aqueous liquid-vapor interface: a reference system for interpreting hydrophobicity generally through interfacial fluctuations. Phys Chem Chem Phys (2014) 0.76
How do we manage post-OLT redundant bile duct? World J Gastroenterol (2013) 0.76
Endoscopic drainage of pancreatic fluid collections using a fully covered expandable metal stent with antimigratory fins. Endosc Ultrasound (2015) 0.76
Endoscopic Ultrasound Elastography: Current Clinical Use in Pancreas. Pancreas (2016) 0.75
Phase-transfer energetics of small-molecule alcohols across the water-hexane interface: molecular dynamics simulations using charge equilibration models. J Mol Graph Model (2010) 0.75
Molecular dynamics simulation of hydrated DPPC monolayers using charge equilibration force fields. J Comput Chem (2011) 0.75
True congenital dislocation of shoulder: A case report and review of the literature. Int J Shoulder Surg (2010) 0.75
Platelet-rich plasma for knee osteoarthritis--authors' response. Am J Sports Med (2013) 0.75
Comment on Morin et al "Positive Communication Paradigm Decreases Early Recurrence in Clubfoot Treatment". J Pediatr Orthop (2015) 0.75
Dynamics and energetics of hydrophobically confined water. Phys Rev E Stat Nonlin Soft Matter Phys (2012) 0.75
Double segmental tibial fractures--an unusual fracture pattern. Chin J Traumatol (2011) 0.75
Novel, UV-curable coatings containing a tethered biocide: Synthesis, characterization, and antimicrobial activity. J Biomed Mater Res A (2010) 0.75
Modified gap arthroplasty and Myrhaug's incision as a treatment option in management of temporomandibular joint ankylosis: a study of 10 cases. J Contemp Dent Pract (2011) 0.75
Fractures of the scaphoid, capitate and triquetrum in a child: a case report. J Orthop Surg (Hong Kong) (2012) 0.75
Synthetic minimalistic tryptophan zippers as a chiroptical switch. Org Biomol Chem (2017) 0.75
Naviculocuneiform dislocations treated with immediate arthrodesis: a report of 2 cases. J Foot Ankle Surg (2005) 0.75
Neglected Hoffa fracture in a child. J Pediatr Orthop B (2013) 0.75
The effect of the Lapidus arthrodesis on the medial longitudinal arch: a radiographic review. J Foot Ankle Surg (2008) 0.75
Evaluation of a fully covered self-expanding metal stent with flared ends in malignant biliary obstruction: a multicenter study. J Clin Gastroenterol (2013) 0.75
Femoral head chondrosarcoma causing femoroacetabular impingement in an adult professional football player. Am J Orthop (Belle Mead NJ) (2013) 0.75
PRP and HA for Hip Osteoarthritis: Letter to the Editor. Am J Sports Med (2016) 0.75