| scholarly article | Q13442814 |
| P50 | author | James H Morrissey | Q57024638 |
| Manu Thomas Kalathottukaren | Q88055354 | ||
| Jayachandran N Kizhakkedathu | Q88055357 | ||
| Jim Pfaendtner | Q88055360 | ||
| Keng C Chou | Q88055363 | ||
| P2093 | author name string | Charles Haynes | |
| Srinivas Abbina | |||
| Amirhossein Mafi | |||
| P2860 | cites work | Inorganic polyphosphate in the origin and survival of species | Q24559998 |
| Efficient transfer of genetic material into mammalian cells using Starburst polyamidoamine dendrimers | Q24600841 | ||
| Platelet polyphosphates are proinflammatory and procoagulant mediators in vivo | Q24655664 | ||
| Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method | Q27336076 | ||
| VMD: visual molecular dynamics | Q27860554 | ||
| GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation | Q27860944 | ||
| Inorganic polyphosphate: a molecule of many functions | Q28139415 | ||
| The long and short of it - polyphosphate, PPK and bacterial survival | Q28280476 | ||
| ACPYPE - AnteChamber PYthon Parser interfacE | Q28465578 | ||
| Development and testing of a general amber force field | Q29547642 | ||
| GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit | Q29615867 | ||
| Canonical sampling through velocity rescaling | Q29616131 | ||
| Automatic atom type and bond type perception in molecular mechanical calculations | Q29616744 | ||
| Martini Force Field Parameters for Glycolipids. | Q30381601 | ||
| Martini Coarse-Grained Force Field: Extension to Carbohydrates. | Q30381806 | ||
| Coarse-Grained Protein Models and Their Applications | Q30389671 | ||
| Polarizable water model for the coarse-grained MARTINI force field | Q33604854 | ||
| Triggers, targets and treatments for thrombosis | Q33765444 | ||
| Steered molecular dynamics and mechanical functions of proteins | Q33942097 | ||
| Molecular dynamics simulations and drug discovery | Q34061019 | ||
| A coarse-grained model for polyethylene oxide and polyethylene glycol: conformation and hydrodynamics. | Q34120971 | ||
| Escaping free-energy minima | Q34151010 | ||
| In vitro cytotoxicity testing of polycations: influence of polymer structure on cell viability and hemolysis | Q34170404 | ||
| The future of molecular dynamics simulations in drug discovery | Q34241696 | ||
| Polyphosphate modulates blood coagulation and fibrinolysis. | Q34304738 | ||
| Human platelet dense granules contain polyphosphate and are similar to acidocalcisomes of bacteria and unicellular eukaryotes. | Q34340830 | ||
| The power of coarse graining in biomolecular simulations. | Q34443159 | ||
| Nontoxic polyphosphate inhibitors reduce thrombosis while sparing hemostasis. | Q34551176 | ||
| A bias-exchange approach to protein folding | Q34617375 | ||
| Polyphosphate is a cofactor for the activation of factor XI by thrombin | Q35631344 | ||
| Nucleic acid scavengers inhibit thrombosis without increasing bleeding. | Q36167707 | ||
| Coarse-Grained Model for PEGylated Lipids: Effect of PEGylation on the Size and Shape of Self-Assembled Structures | Q36290628 | ||
| Inhibition of polyphosphate as a novel strategy for preventing thrombosis and inflammation | Q36509624 | ||
| Polyphosphate enhances fibrin clot structure | Q36915892 | ||
| Dendrimer toxicity: Let's meet the challenge. | Q37740264 | ||
| Coarse-Graining Methods for Computational Biology | Q38085672 | ||
| Perspective on the Martini model. | Q38109488 | ||
| Investigating drug-target association and dissociation mechanisms using metadynamics-based algorithms | Q38286343 | ||
| Role of Molecular Dynamics and Related Methods in Drug Discovery. | Q38710538 | ||
| Enhancing Important Fluctuations: Rare Events and Metadynamics from a Conceptual Viewpoint. | Q38776017 | ||
| Alteration of blood clotting and lung damage by protamine are avoided using the heparin and polyphosphate inhibitor UHRA. | Q39051903 | ||
| RNA/Peptide Binding Driven by Electrostatics-Insight from Bidirectional Pulling Simulations | Q40298097 | ||
| MARTINI Coarse-Grained Models of Polyethylene and Polypropylene. | Q40912075 | ||
| Cationic PAMAM dendrimers aggressively initiate blood clot formation. | Q42008916 | ||
| Biophysical characterization of PEI/DNA complexes | Q44528049 | ||
| Efficient Simulation of Explicitly Solvated Proteins in the Well-Tempered Ensemble | Q46626474 | ||
| A Polymer Therapeutic Having Universal Heparin Reversal Activity: Molecular Design and Functional Mechanism. | Q47705438 | ||
| The MARTINI Coarse-Grained Force Field: Extension to Proteins. | Q47741405 | ||
| Affinity-based design of a synthetic universal reversal agent for heparin anticoagulants. | Q51039060 | ||
| Strong Electrostatic Interactions Lead to Entropically Favorable Binding of Peptides to Charged Surfaces. | Q51331197 | ||
| P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation | Q51897570 | ||
| Free-energy landscape for beta hairpin folding from combined parallel tempering and metadynamics | Q51931397 | ||
| A time-independent free energy estimator for metadynamics | Q53149866 | ||
| Coarse-graining poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) (PEO-PPO-PEO) block copolymers using the MARTINI force field | Q53635800 | ||
| Polyphosphate accelerates factor V activation by factor XIa. | Q53721304 | ||
| Polymorphic Phase Behavior of Cardiolipin Derivatives Studied by Coarse-Grained Molecular Dynamics | Q57366248 | ||
| Coarse-grained molecular dynamics simulations of membrane proteins and peptides | Q79372145 | ||
| Enhanced Sampling in the Well-Tempered Ensemble | Q85079127 | ||
| Replica Temperatures for Uniform Exchange and Efficient Roundtrip Times in Explicit Solvent Parallel Tempering Simulations | Q86804259 | ||
| P433 | issue | 4 | |
| P921 | main subject | molecular design | Q55213915 |
| P304 | page(s) | 1358-1367 | |
| P577 | publication date | 2018-03-23 | |
| P1433 | published in | Biomacromolecules | Q1768006 |
| P1476 | title | Design of Polyphosphate Inhibitors: A Molecular Dynamics Investigation on Polyethylene Glycol-Linked Cationic Binding Groups | |
| P478 | volume | 19 |
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