| scholarly article | Q13442814 |
| P356 | DOI | 10.1002/PROT.24533 |
| P698 | PubMed publication ID | 24549829 |
| P2093 | author name string | Tusar Bandyopadhyay | |
| Arup K Pathak | |||
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| Serine Proteases: Structure and Mechanism of Catalysis | Q28295871 | ||
| Energetics of Ortho-7 (oxime drug) translocation through the active-site gorge of tabun conjugated acetylcholinesterase | Q28481270 | ||
| Development and testing of a general amber force field | Q29547642 | ||
| How were new medicines discovered? | Q29616641 | ||
| Cation-pi interactions in structural biology | Q29617384 | ||
| Validation of Molecular Dynamics Simulations of Biomolecules Using NMR Spin Relaxation as Benchmarks: Application to the AMBER99SB Force Field. | Q31029830 | ||
| Substrate binding process and mechanistic functioning of type 1 11β-hydroxysteroid dehydrogenase from enhanced sampling methods | Q34038269 | ||
| Escaping free-energy minima | Q34151010 | ||
| The dynamics of ligand barrier crossing inside the acetylcholinesterase gorge | Q34183070 | ||
| Interactions with aromatic rings in chemical and biological recognition | Q34184583 | ||
| Local elevation: a method for improving the searching properties of molecular dynamics simulation. | Q34309917 | ||
| Biochemical mechanisms of drug action: what does it take for success? | Q34344862 | ||
| Oximes in acute organophosphorus pesticide poisoning: a systematic review of clinical trials | Q34616179 | ||
| Respiratory failure in acute organophosphorus pesticide self-poisoning. | Q34885765 | ||
| Effective countermeasure against poisoning by organophosphorus insecticides and nerve agents | Q34999015 | ||
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| Unequal efficacy of pyridinium oximes in acute organophosphate poisoning | Q36800759 | ||
| Deaths from pesticide poisoning: a global response | Q36804709 | ||
| Cation-pi interactions in aromatics of biological and medicinal interest: electrostatic potential surfaces as a useful qualitative guide | Q37284698 | ||
| Differential binding of bispyridinium oxime drugs with acetylcholinesterase | Q39013062 | ||
| Kinetic analysis of reactivation and aging of human acetylcholinesterase inhibited by different phosphoramidates | Q40230555 | ||
| The birth of nerve agent warfare: lessons from Syed Abbas Foroutan | Q40511303 | ||
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| Kinetic analysis of interactions of different sarin and tabun analogues with human acetylcholinesterase and oximes: is there a structure-activity relationship? | Q43182795 | ||
| Adaptively biased molecular dynamics for free energy calculations | Q44873515 | ||
| Kinetic analysis of interactions between human acetylcholinesterase, structurally different organophosphorus compounds and oximes | Q45118910 | ||
| Revisiting the finite temperature string method for the calculation of reaction tubes and free energies. | Q45998116 | ||
| On-the-path random walk sampling for efficient optimization of minimum free-energy path. | Q46000934 | ||
| Comparison of oxime reactivation and aging of nerve agent-inhibited monkey and human acetylcholinesterases | Q46538432 | ||
| The role of the peripheral anionic site and cation-pi interactions in the ligand penetration of the human AChE gorge | Q46559588 | ||
| Targeted synthesis of 1-(4-hydroxyiminomethylpyridinium)-3-pyridiniumpropane dibromide--a new nerve agent reactivator. | Q46932459 | ||
| The adhesion function on acetylcholinesterase is located at the peripheral anionic site | Q46976809 | ||
| Reactivators of acetylcholinesterase inhibited by organophosphorus nerve agents | Q48644864 | ||
| P433 | issue | 9 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | 1799-1818 | |
| P577 | publication date | 2014-02-19 | |
| P1433 | published in | Proteins | Q7251514 |
| P1476 | title | Unbinding free energy of acetylcholinesterase bound oxime drugs along the gorge pathway from metadynamics-umbrella sampling investigation | |
| P478 | volume | 82 |
| Q42016644 | Including ligand-induced protein flexibility into protein tunnel prediction |
| Q89450851 | Influence of gauche effect on uncharged oxime reactivators for the reactivation of tabun-inhibited AChE: quantum chemical and steered molecular dynamics studies |
| Q51824182 | New N,N-dimethylcarbamate inhibitors of acetylcholinesterase: design synthesis and biological evaluation |
| Q64093789 | Potential Mean Force from Umbrella Sampling Simulations: What Can We Learn and What Is Missed? |
| Q57754481 | Probing the ATP-induced conformational flexibility of the PcrA helicase protein using molecular dynamics simulation |
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