GEPOL: An improved description of molecular surfaces II. Computing the molecular area and volume
about
A genetic approach for identifying critical residues in the fingers and palm subdomains of HIV-1 reverse transcriptase.A proposal for the revision of molecular boundary typology.Effects of molecular crowding by saccharides on alpha-chymotrypsin dimerization.A protocol to evaluate one electron redox potential for iron complexes.Conductor-like screening model for relaxed excited states: Implementation in the semiempirical method MSINDO.New approach to free energy of solvation applying continuum models to molecular dynamics simulation.Partial molar volumes of mRNA 5' cap analogues.A self-consistent reaction field model of solvation using distributed multipoles. I. Energy and energy derivatives.Free energy of solvation from molecular dynamics simulation applying Voronoi-Delaunay triangulation to the cavity creation.Combining frozen-density embedding with the conductor-like screening model using Lagrangian techniques for response properties.AGGREGATES: Finding structures in simulation results of solutions.Beta-decomposition for the volume and area of the union of three-dimensional balls and their offsets.Continuous surface charge polarizable continuum models of solvation. I. General formalism.Multiple regression analysis of octanol/water partition coefficients of non-ionic monomeric radiographic contrast media with the combination of three molecular descriptors.Intramolecular Hydrogen Bonds in Conformers of Quinine and Quinidine: An HF, MP2 and DFT Study.Quantum cluster equilibrium theory treatment of hydrogen-bonded liquids: water, methanol and ethanolPolarizabilities in the condensed phase and the local fields problem: A direct reaction field formulationPolarizable continuum modelSmall angle X-ray scattering study of chiral side chain liquid crystalline polymers in 5CB and 8CB solventsQuantum cluster equilibrium theory of liquids: Freezing of QCE/3-21G water to tetrakaidecahedral “Bucky-ice”Quantum cluster equilibrium theory of liquids: General theory and computer implementationQuantum cluster equilibrium theory of liquids: Illustrative application to waterA new analytical method for computing solvent-accessible surface area of macromolecules and its gradients
P2860
Q35740672-C0A2C96D-221A-45D2-B971-4F68E9965ADBQ37774337-775D5664-32B6-4A42-8FC6-50DFF6EAE0A9Q38269519-EC8D2A92-3581-4842-9F35-9A2E827E1A84Q42610167-A9EA41E1-E283-4D0B-8F70-1F8A28B1EC5AQ42638083-516A50D3-224B-4CCC-A524-51C7891BF24BQ43956208-448331FF-225A-4763-B97D-145212F31D03Q44622302-37D3D410-F4AD-4AFA-BB41-E3FED1017E5CQ44989095-D46F19E5-2C38-4650-A4D0-9B7672407267Q46852121-89E73F1D-70EB-47EF-AE5C-06905B01F5BDQ48061374-4FE2A2B8-24D1-40CB-B540-DE027398E27CQ48336604-EE56BAEA-9973-42C7-9E93-7694B420F2C8Q51407982-CFF2368F-BD17-4D17-8A9D-D4B589C88B55Q51711705-8CD7F017-051D-452E-89D8-95EEEB54102EQ52214000-7A141B3C-7C08-4D41-A6B9-8FE8188B84DCQ53738963-5006F5C9-3785-4F97-9F72-C1FFE6B77BE1Q56838169-11765775-A61F-4EBB-BB41-B6EDDE1E236AQ56880734-16C98426-0242-4A3D-8B67-A47E2DA4DB05Q57278591-CF6E887C-CBC6-4741-9F22-BFA3B37F039AQ57378106-6BDA1BE4-B807-44FB-9070-051B5EB943B1Q58200198-F5720793-328E-497D-88FC-3C8141D081B0Q58200208-5D10D666-F517-4D74-9C2B-C3C8F5791F20Q58200209-62D478D9-726B-4F06-8CD8-1DDDED7B87FCQ58429806-C1F7BB0F-9936-4F80-85D2-FF0FC12A4BC5
P2860
GEPOL: An improved description of molecular surfaces II. Computing the molecular area and volume
description
1991 nî lūn-bûn
@nan
1991 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
1991 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
1991年の論文
@ja
1991年論文
@yue
1991年論文
@zh-hant
1991年論文
@zh-hk
1991年論文
@zh-mo
1991年論文
@zh-tw
1991年论文
@wuu
name
GEPOL: An improved description ...... the molecular area and volume
@ast
GEPOL: An improved description ...... the molecular area and volume
@en
type
label
GEPOL: An improved description ...... the molecular area and volume
@ast
GEPOL: An improved description ...... the molecular area and volume
@en
prefLabel
GEPOL: An improved description ...... the molecular area and volume
@ast
GEPOL: An improved description ...... the molecular area and volume
@en
P2093
P2860
P356
P1476
GEPOL: An improved description ...... the molecular area and volume
@en
P2093
Estanislao Silla
Iñaki Tuñón
Juan Luis Pascual-Ahuir
P2860
P304
P356
10.1002/JCC.540120905
P577
1991-11-01T00:00:00Z