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1Academic Journal
المساهمون: ARMY MEDICAL RESEARCH INST OF INFECTIOUS DISEASES FORT DETRICK MD
المصدر: DTIC AND NTIS
مصطلحات موضوعية: Biochemistry, REACTION KINETICS, PROTEINS, MOLECULAR DYNAMICS, COMPUTERIZED SIMULATION, REPRINTS, MONTE CARLO METHOD, SCALING FACTOR, SOLVENTS, FREE ENERGY, ELECTROSTATICS, PH FACTOR, HAMILTONIAN FUNCTIONS, TITRATION, COMPUTER MODELING, CONTINUOUS TITRATION COORDINATES, BORN IMPLICIT SOLVENT MODEL, PHMD(PH MOLECULAR DYNAMICS), LRA(LINEAR RESPONSE APPROXIMATION), LANGEVIN MODEL
وصف الملف: text/html
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2
المصدر: Biochimica et Biophysica Acta
مصطلحات موضوعية: Protein Folding, Hydrolases, Protein Conformation, Energy transfer, QM/MM, quantum mechanics/molecular mechanics, Review, 01 natural sciences, Biochemistry, FEP, free energy perturbation, Molecular dynamics, Protein stability, Multiscale modeling, RS, reactant state, CG, coarse-grained, Reference potential, 010304 chemical physics, Protein Stability, Chemistry, US, umbrella sampling, Biochemistry and Molecular Biology, Mean field approximation, EVB, empirical valence bond, Reference Standards, REMD, replica exchange molecular dynamics, MD, molecular dynamics, Biofysik, Thermodynamics, Surface Properties, Biophysics, Complex system, QM/MM free energy calculation, Nanotechnology, Molecular Dynamics Simulation, Molecular systems, 010402 general chemistry, TS, transition state, Averaging potential, QM/MM, Structure-Activity Relationship, PMF, potential of mean force, Chlorides, QTCP, QM/MM thermodynamic cycle perturbation, 0103 physical sciences, PD, paradynamics, Ethylene Dichlorides, Uracil, Molecular Biology, Reference standards, Protein Unfolding, LRA, linear response approximation, SCC-DFTB, self-consistent charge density functional tight binding, Proteins, 0104 chemical sciences, Computational physics, Kinetics, ABF, adaptive biasing force, Energy Transfer, Methyl Chloride, Biokemi och molekylärbiologi, Energy (signal processing)
وصف الملف: application/pdf
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3Electronic Resource
المصدر: DTIC AND NTIS
مصطلحات الفهرس: Biochemistry, Numerical Mathematics, Atomic and Molecular Physics and Spectroscopy, ACETYLCHOLINESTERASE, POISSON EQUATION, MOLECULAR DYNAMICS, COMPUTERIZED SIMULATION, REPRINTS, OPTIMIZATION, COMPUTATIONS, PROTEINS, DIELECTRICS, MICROSCOPY, DIELECTRIC PROPERTIES, APPROXIMATION(MATHEMATICS), CONSTANTS, LINEARITY, POTENTIAL ENERGY, LOOPS, FREE ENERGY, BIODYNAMICS, HYDRATION., FREE ENERGIES, ATOMIC SOLVATION POTENTIAL, COMPUTER MODELING, EXPLICIT SOLVATION, DIELECTRIC SCREENING, GENERALIZED BORN, LRA(LINEAR RESPONSE APPROXIMATION), IMPLICIT SOLVATION, Text
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4Electronic Resource
المؤلفون: ARMY MEDICAL RESEARCH INST OF INFECTIOUS DISEASES FORT DETRICK MD, Lee, Michael S., Salsbury, Freddie R., Jr, Brooks III, Charles L.
المصدر: DTIC AND NTIS
مصطلحات الفهرس: Biochemistry, REACTION KINETICS, PROTEINS, MOLECULAR DYNAMICS, COMPUTERIZED SIMULATION, REPRINTS, MONTE CARLO METHOD, SCALING FACTOR, SOLVENTS, FREE ENERGY, ELECTROSTATICS, PH FACTOR, HAMILTONIAN FUNCTIONS, TITRATION., COMPUTER MODELING, CONTINUOUS TITRATION COORDINATES, BORN IMPLICIT SOLVENT MODEL, PHMD(PH MOLECULAR DYNAMICS), LRA(LINEAR RESPONSE APPROXIMATION), LANGEVIN MODEL, Text