Effective Born radii in the generalized Born approximation: the importance of being perfect
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An implicit membrane generalized born theory for the study of structure, stability, and interactions of membrane proteins.Balancing solvation and intramolecular interactions: toward a consistent generalized Born force fieldMolecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithmsMD Simulations of tRNA and Aminoacyl-tRNA Synthetases: Dynamics, Folding, Binding, and AllosteryBiomolecular electrostatics and solvation: a computational perspectiveHot-spot analysis to dissect the functional protein-protein interface of a tRNA-modifying enzymeThe Amber biomolecular simulation programsComparison of the 'chemical' and 'structural' approaches to the optimization of the thrombin-binding aptamerIntegrated Modeling Program, Applied Chemical Theory (IMPACT)Ultra-fast evaluation of protein energies directly from sequenceFactors influencing the energetics of electron and proton transfers in proteins. What can be learned from calculations.A test on peptide stability of AMBER force fields with implicit solvationHeat conductivity of DNA double helixCapturing molten globule state of α-lactalbumin through constant pH molecular dynamics simulations.Analysis of fast boundary-integral approximations for modeling electrostatic contributions of molecular bindingComparing aminoglycoside binding sites in bacterial ribosomal RNA and aminoglycoside modifying enzymes.Intramolecular cohesion of coils mediated by phenylalanine--glycine motifs in the natively unfolded domain of a nucleoporin.Electrostatic solvation energy for two oppositely charged ions in a solvated protein system: salt bridges can stabilize proteins.Intrinsically disordered regions may lower the hydration free energy in proteins: a case study of nudix hydrolase in the bacterium Deinococcus radiodurans.Simulation of the folding equilibrium of alpha-helical peptides: a comparison of the generalized Born approximation with explicit solventComparative study of generalized Born models: protein dynamics.The AGBNP2 Implicit Solvation Model.Decomposing the energetic impact of drug resistant mutations in HIV-1 protease on binding DRV.Identification of 5' AMP-activated kinase as a target of reactive aldehydes during chronic ingestion of high concentrations of ethanol.Insights into nucleic acid conformational dynamics from massively parallel stochastic simulationsDifferential geometry based solvation model I: Eulerian formulation.Polyproline II helix conformation in a proline-rich environment: a theoretical study.Bluues: a program for the analysis of the electrostatic properties of proteins based on generalized Born radii.Generalized Born model with a simple, robust molecular volume correctionTriple helical structure and stabilization of collagen-like molecules with 4(R)-hydroxyproline in the Xaa position.Assessing implicit models for nonpolar mean solvation forces: the importance of dispersion and volume termsVirtual screening using molecular simulations.Four small puzzles that Rosetta doesn't solve.A strategy for reducing gross errors in the generalized Born models of implicit solvation.Differential geometry based solvation model II: Lagrangian formulation.Improved Generalized Born Solvent Model Parameters for Protein Simulations.Parallel Generalized Born Implicit Solvent Calculations with NAMD.Computing Alchemical Free Energy Differences with Hamiltonian Replica Exchange Molecular Dynamics (H-REMD) Simulations.On the energy components governing molecular recognition in the framework of continuum approachesTheoretical methods for the simulation of nucleic acids.
P2860
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P2860
Effective Born radii in the generalized Born approximation: the importance of being perfect
description
2002 nî lūn-bûn
@nan
2002 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
2002 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
2002年の論文
@ja
2002年論文
@yue
2002年論文
@zh-hant
2002年論文
@zh-hk
2002年論文
@zh-mo
2002年論文
@zh-tw
2002年论文
@wuu
name
Effective Born radii in the ge ...... he importance of being perfect
@ast
Effective Born radii in the ge ...... he importance of being perfect
@en
Effective Born radii in the ge ...... he importance of being perfect
@nl
type
label
Effective Born radii in the ge ...... he importance of being perfect
@ast
Effective Born radii in the ge ...... he importance of being perfect
@en
Effective Born radii in the ge ...... he importance of being perfect
@nl
prefLabel
Effective Born radii in the ge ...... he importance of being perfect
@ast
Effective Born radii in the ge ...... he importance of being perfect
@en
Effective Born radii in the ge ...... he importance of being perfect
@nl
P2093
P2860
P3181
P356
P1476
Effective Born radii in the ge ...... he importance of being perfect
@en
P2093
Alexey Onufriev
David A Case
Donald Bashford
P2860
P304
P3181
P356
10.1002/JCC.10126
P407
P577
2002-11-15T00:00:00Z