Suchergebnisse - CHARMM

1

The structural integrity of the membrane-embedded bacterial division complex FtsQBL studied with molecular dynamics simulations

von: Yu Wai Chen

2023, in: Computational and Structural Biotechnology Journal

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2

Revised force-field parameters for chlorophyll-a, pheophytin-a and plastoquinone-9

von: Guerra, Federico

2015, in: Su1569 Standardized Training Program on Diagnosis of Early Gastrointestinal Cancers Using Narrow Band Imaging (NBI) in Asia

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3

PROTDES: CHARMM toolbox for computational protein design

von: Suárez, María

2008, in: Systems and synthetic biology

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4

An atomistic model for simulations of nilotinib and nilotinib/kinase binding

von: Valeyev, Najl V.

2011, in: Theoretical chemistry accounts

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5

Parameterization of the prosthetic redox centers of the bacterial cytochrome bc1 complex for atomistic molecular dynamics simulations

von: Kaszuba, Karol

2013, in: Theoretical chemistry accounts

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6

Optimization of CHARMM force field parameters for the chalcone fragment

von: Zhang, Hui

2012, in: Science in China

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7

Increasing stability of water-soluble PQQ glucose dehydrogenase by increasing hydrophobic interaction at dimeric interface

von: Tanaka, Shunsuke

2005, in: BMC biochemistry

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8

Rational design of novel, fluorescent, tagged glutamic acid dendrimers with different terminal groups and in silico analysis of their properties

von: Martinho N

2017, in: International Journal of Nanomedicine

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9

Implementation of gradient gravitational search algorithm towards conformational search

von: Pradhan, Rojalin

2021, in: Computational and theoretical chemistry

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10

Structure based virtual screening of non-steroidal anti-inflammatory drugs (NSAIDs) against RNA-binding motif 6 (RBM6) involved in human lung cancer

von: Munichandrababu, Tirumalasetty

2012, in: Medicinal chemistry research

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11

Optimization of CHARMM force field parameters of a prostate cancer drug enzalutamide

von: Baday, Sefer

2020transfer abstract, in: Su1569 Standardized Training Program on Diagnosis of Early Gastrointestinal Cancers Using Narrow Band Imaging (NBI) in Asia

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12

Proper balance of solvent-solute and solute-solute interactions in the treatment of the diffusion of glucose using the Drude polarizable force field

von: Yang, Mingjun

2018transfer abstract, in: An analytical model of apparent viscosity in bleeding process

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13

Development of force field parameters for cyclopentane-modified peptide nucleic acids

von: Manukyan, Anna K.

2015, in: Theoretical chemistry accounts

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14

Amorphous paracrystalline structures from native crystalline cellulose: A molecular dynamics protocol

von: Bregado, Jurgen Lange

2019transfer abstract, in: Fabrication and compressive behaviour of an aluminium foam composite

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15

NMR refinement and peptide folding using the GROMACS software

von: Sinelnikova, Anna

2021, in: Journal of biomolecular NMR

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16

Influence of various force fields in estimating the binding affinity of acetylcholinesterase inhibitors using fast pulling of ligand scheme

von: Tam, Nguyen Minh

2018, in: Rational construction of multifunctional hydrophilic coatings with sustainable anti-fogging, UV-shielding and anti-freezing abilities

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17

Role of magnesium ions in the reaction mechanism at the interface between Tm1631 protein and its DNA ligand

von: Ogrizek, Mitja

2016, in: Chemistry central journal

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18

Adsorption of impurities in vegetable oil: A molecular modelling study

von: Vuorte, Maisa

2020, in: Increased ratio of P[v-a]CO

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19

Gas-phase formation of large neutral alkaline-earth metal tryptophan complexes

von: Marksteiner, Markus

2008, in: Journal of the American Society for Mass Spectrometry

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20

Probing the accuracy of reactive and non-reactive force fields to describe physical and chemical properties of graphene-oxide

von: Fonseca, Alexandre F.

2016, in: Influence of solid cohesion on viscous properties in Norton law for aluminum alloys during partial solidification

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