Implicit solvation

Results: 47



#Item
11Molecular modelling / Computational chemistry / Intermolecular forces / Molecular dynamics / Accessible surface area / Van der Waals radius / Implicit solvation / Van der Waals surface / Johannes Diderik van der Waals / Chemistry / Protein structure / Science

ProteinVolume: calculating molecular van der Waals and void volumes in proteins

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Source URL: www.biomedcentral.com

Language: English
12Computational chemistry / OpenEye Scientific Software / Force field / Implicit solvation / Drug design / Molecular dynamics / Chemical Computing Group / Chemistry / Molecular modelling / Science

Simulations of Crowding, Confinement, and Cellular Environments: Michael Feig Understanding and Predicting the Role of Water in Drug Design: Jean-François Truchon, Raul Alvarez & Vijay Pande Cosponsored symposia

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Source URL: www.exeresearch.com

Language: English
13Computational chemistry / Force field / Implicit solvation / Molecular dynamics / Drug design / Chemistry / Molecular modelling / Science

Simulations of Crowding, Confinement, and Cellular Environments: Michael Feig Understanding and Predicting the Role of Water in Drug Design: Jean-François Truchon, Raul Alvarez & Vijay Pande Cosponsored symposia

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Source URL: www.exeresearch.com

Language: English - Date: 2012-08-16 11:54:30
14Electrophysiology / Cell communication / Integral membrane proteins / Cellular neuroscience / Membrane potential / Debye–Hückel theory / Debye length / Potassium channel / Implicit solvation / Biology / Chemistry / Electrochemistry

PHYSICAL REVIEW E 70, Saturation of conductance in single ion channels: The blocking effect of the near reaction field Boaz Nadler,1,* Zeev Schuss,2,† Uwe Hollerbach,3,‡ and R. S. Eisenberg3,§ 1

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Source URL: www.wisdom.weizmann.ac.il

Language: English - Date: 2006-02-15 15:55:08
15Protein structure / Intermolecular forces / Molecular dynamics / Accessible surface area / Van der Waals surface / Van der Waals radius / Johannes Diderik van der Waals / Implicit solvation / Docking / Chemistry / Computational chemistry / Molecular modelling

Generating Triangulated Macromolecular Surfaces by Euclidean Distance Transform Dong Xu1,2, Yang Zhang1,2* 1 Center for Computational Medicine and Bioinformatics, University of Michigan, Ann Arbor, Michigan, United State

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Source URL: zhanglab.ccmb.med.umich.edu

Language: English - Date: 2009-12-16 16:06:00
16Chemical kinetics / Solutions / Chemical reaction / Implicit solvation / Reaction rate / Solvation / SN2 reaction / Molecular dynamics / Properties of water / Chemistry / Computational chemistry / Molecular modelling

Chemical Fate of Contaminants in the Environment: Chlorinated Hydrocarbons in the Groundwater

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Source URL: www.pnl.gov

Language: English - Date: 2009-10-30 09:59:13
17Glyoxal / Particulates / Chemical properties / Solubility / Sulfate / Implicit solvation / Sulfur / Aqueous solution / Chemistry / Solutions / Aldehydes

The Journal of Physical Chemistry This document is confidential and is proprietary to the American Chemical Society and its authors. Do not copy or disclose without written permission. If you have received this item in

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Source URL: www.colorado.edu

Language: English - Date: 2014-11-24 13:31:22
18Molecular modelling / Force field / Molecular dynamics / Implicit solvation / CHARMM / Molecular mechanics / Theoretical chemistry / Drug design / Biophysics / Chemistry / Science / Computational chemistry

American Chemical Society Division of Computers in Chemistry ABSTRACTS 224th ACS National Meeting Boston, MA

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Source URL: oldwww.acscomp.org

Language: English - Date: 2011-07-01 06:30:54
19Science / Molecular dynamics / Implicit solvation / Force field / Giovanni Ciccotti / Crystal / Differential equation / Chemistry / Computational chemistry / Molecular modelling

http://oasys.acs.org/acs/233nm/comp/finalprogram.html

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Source URL: oldwww.acscomp.org

Language: English - Date: 2011-07-01 06:30:54
20Food additives / Polyelectrolyte / Polymers / Electrolyte / Implicit solvation / Polymer / DNA / Polyelectrolyte adsorption / Polyallylamine hydrochloride / Chemistry / Physical chemistry / Polymer chemistry

Researchers develop models to study polyelectrolytes, including DNA and RNA

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Source URL: phys.org

Language: English - Date: 2014-11-26 07:27:48
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