| scholarly article | Q13442814 |
| P50 | author | J. Andrew McCammon | Q6104601 |
| P2093 | author name string | Alexander L Perryman | |
| Jung-Hsin Lin | |||
| P2860 | cites work | The Protein Data Bank | Q24515306 |
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| P433 | issue | 4 | |
| P407 | language of work or name | English | Q1860 |
| P921 | main subject | molecular dynamics simulation | Q901663 |
| drug resistance | Q12147416 | ||
| P304 | page(s) | 1108-23 | |
| P577 | publication date | 2004-04-01 | |
| P1433 | published in | Protein Science | Q7251445 |
| P1476 | title | HIV-1 protease molecular dynamics of a wild-type and of the V82F/I84V mutant: possible contributions to drug resistance and a potential new target site for drugs | |
| P478 | volume | 13 |
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| Q33899351 | Decomposing the energetic impact of drug resistant mutations in HIV-1 protease on binding DRV. |
| Q52621156 | Denaturation of HIV-1 protease (PR) monomer by acetic acid: mechanistic and trajectory insights from molecular dynamics simulations and NMR. |
| Q36378725 | Differential Flap Dynamics in Wild-type and a Drug Resistant Variant of HIV-1 Protease Revealed by Molecular Dynamics and NMR Relaxation. |
| Q30483107 | Distinguishing HIV-1 drug resistance, accessory, and viral fitness mutations using conditional selection pressure analysis of treated versus untreated patient samples |
| Q41989179 | Distinguishing binders from false positives by free energy calculations: fragment screening against the flap site of HIV protease |
| Q34045028 | Drug Resistance Mutations Alter Dynamics of Inhibitor-Bound HIV-1 Protease. |
| Q43136211 | Drug-resistant HIV-1 protease regains functional dynamics through cleavage site coevolution. |
| Q46121038 | Drug-resistant molecular mechanism of CRF01_AE HIV-1 protease due to V82F mutation |
| Q33955900 | Dynamical basis for drug resistance of HIV-1 protease |
| Q44238646 | Effect of atomic charge, solvation, entropy, and ligand protonation state on MM-PB(GB)SA binding energies of HIV protease. |
| Q35650944 | Effects of drug-resistant mutations on the dynamic properties of HIV-1 protease and inhibition by Amprenavir and Darunavir. |
| Q42146547 | Elucidating a relationship between conformational sampling and drug resistance in HIV-1 protease |
| Q39300805 | Enhanced conformational sampling technique provides an energy landscape view of large-scale protein conformational transitions |
| Q36185635 | Exploring Flexibility of Progesterone Receptor Ligand Binding Domain Using Molecular Dynamics |
| Q47948025 | Flap Dynamics in Aspartic Proteases: A Computational Perspective |
| Q59355901 | Flap-site Fragment Restores Back Wild-type Behaviour in Resistant form of HIV Protease |
| Q26826945 | Fragment screening and HIV therapeutics |
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| Q39290078 | Genotypic changes in human immunodeficiency virus type 1 protease associated with reduced susceptibility and virologic response to the protease inhibitor tipranavir |
| Q27650325 | HIV-1 Protease Inhibitors from Inverse Design in the Substrate Envelope Exhibit Subnanomolar Binding to Drug-Resistant Variants |
| Q35259855 | HIV-1 Protease: Structural Perspectives on Drug Resistance |
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| Q41901691 | High-affinity RNA Aptamers Against the HIV-1 Protease Inhibit Both In Vitro Protease Activity and Late Events of Viral Replication |
| Q64953108 | Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues. |
| Q27676981 | Hydrophobic Core Flexibility Modulates Enzyme Activity in HIV-1 Protease |
| Q42634144 | Hydrophobic sliding: a possible mechanism for drug resistance in human immunodeficiency virus type 1 protease |
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| Q43094996 | Inhibitor-induced conformational shifts and ligand-exchange dynamics for HIV-1 protease measured by pulsed EPR and NMR spectroscopy |
| Q42689269 | Insights into amprenavir resistance in E35D HIV-1 protease mutation from molecular dynamics and binding free-energy calculations. |
| Q35048158 | Insights into the dynamics of HIV-1 protease: a kinetic network model constructed from atomistic simulations. |
| Q35783809 | Interaction of I50V mutant and I50L/A71V double mutant HIV-protease with inhibitor TMC114 (darunavir): molecular dynamics simulation and binding free energy studies |
| Q50894892 | Interchain hydrophobic clustering promotes rigidity in HIV-1 protease flap dynamics: new insights from molecular dynamics. |
| Q24813590 | MEDock: a web server for efficient prediction of ligand binding sites based on a novel optimization algorithm |
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| Q35706925 | Modulation of HIV protease flexibility by the T80N mutation |
| Q34334101 | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs. |
| Q36104304 | Molecular dynamics simulation in virus research |
| Q40737258 | Molecular dynamics simulation of the Escherichia coli NikR protein: equilibrium conformational fluctuations reveal interdomain allosteric communication pathways |
| Q81041303 | Molecular dynamics studies on HIV-1 protease: a comparison of the flap motions between wild type protease and the M46I/G51D double mutant |
| Q35733861 | Molecular recognition in the case of flexible targets |
| Q37055280 | NMR relaxation in proteins with fast internal motions and slow conformational exchange: model-free framework and Markov state simulations |
| Q27324517 | New insights into the in silico prediction of HIV protease resistance to nelfinavir |
| Q36344445 | Novel method for probing the specificity binding profile of ligands: applications to HIV protease |
| Q59350906 | Perspectives towards antiviral drug discovery against Ebola virus |
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| Q28914732 | Prediction of mutational tolerance in HIV-1 protease and reverse transcriptase using flexible backbone protein design |
| Q42182634 | Pressure induced structural changes and dimer destabilization of HIV-1 protease studied by molecular dynamics simulations |
| Q49851708 | Probing Structural Changes among Analogous Inhibitor-Bound Forms of HIV-1 Protease and a Drug-Resistant Mutant in Solution by Nuclear Magnetic Resonance. |
| Q27676129 | Protein conformational dynamics in the mechanism of HIV-1 protease catalysis |
| Q27312694 | QwikMD - Integrative Molecular Dynamics Toolkit for Novices and Experts |
| Q36458637 | Residue centrality, functionally important residues, and active site shape: analysis of enzyme and non-enzyme families |
| Q35193500 | Residues crucial for maintaining short paths in network communication mediate signaling in proteins |
| Q37235740 | Resilience to resistance of HIV-1 protease inhibitors: profile of darunavir. |
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| Q37395308 | Simulations of a protein crystal: explicit treatment of crystallization conditions links theory and experiment in the streptavidin-biotin complex |
| Q27677124 | Small Molecule Regulation of Protein Conformation by Binding in the Flap of HIV Protease |
| Q34526179 | Structural basis and distal effects of Gag substrate coevolution in drug resistance to HIV-1 protease |
| Q36727191 | Targeting structural flexibility in HIV-1 protease inhibitor binding |
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| Q35943856 | Temperature-sensitive mutants and revertants in the coronavirus nonstructural protein 5 protease (3CLpro) define residues involved in long-distance communication and regulation of protease activity |
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| Q36867020 | The open structure of a multi-drug-resistant HIV-1 protease is stabilized by crystal packing contacts |
| Q27325362 | Unique Flap Conformation in an HIV-1 Protease with High-Level Darunavir Resistance. |
| Q34867648 | Virtual Screening with AutoDock: Theory and Practice |
| Q21135453 | Visualization of early events in acetic acid denaturation of HIV-1 protease: a molecular dynamics study. |
| Q42056086 | Whiskers-less HIV-protease: a possible way for HIV-1 deactivation |
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