Exploration of Free Energy Surfaces Across a Membrane Channel Using Metadynamics and Umbrella Sampling

^*Corresponding author voor dit werk

Onderzoeksoutput › Academic › peer review

34 Citaten (Scopus)

Originele taal-2	English
Pagina's (van-tot)	2751-2765
Aantal pagina's	15
Tijdschrift	Journal of Chemical Theory and Computation
Volume	16
Nummer van het tijdschrift	4
DOI's	https://doi.org/10.1021/acs.jctc.9b00992
Status	Published - 14-apr.-2020
Extern gepubliceerd	Ja

Toegang tot document

Exploration of Free Energy Surfaces Across a Membrane Channel Using Metadynamics and Umbrella Sampling
Final publisher's version, 5,63 MB
Kopie aanvragen

@article{c4ec1a4e387949a0bd355aadf19bce48,

title = "Exploration of Free Energy Surfaces Across a Membrane Channel Using Metadynamics and Umbrella Sampling",

author = "Golla, \{Vinaya Kumar\} and Jignesh Prajapati and Manas Joshi and Ulrich Kleinekath{\"o}fer",

year = "2020",

month = apr,

day = "14",

doi = "10.1021/acs.jctc.9b00992",

language = "English",

volume = "16",

pages = "2751--2765",

journal = "Journal of Chemical Theory and Computation",

issn = "1549-9618",

publisher = "AMER CHEMICAL SOC",

number = "4",

}

TY - JOUR

T1 - Exploration of Free Energy Surfaces Across a Membrane Channel Using Metadynamics and Umbrella Sampling

AU - Golla, Vinaya Kumar

AU - Prajapati, Jignesh

AU - Joshi, Manas

AU - Kleinekathöfer, Ulrich

PY - 2020/4/14

Y1 - 2020/4/14

U2 - 10.1021/acs.jctc.9b00992

DO - 10.1021/acs.jctc.9b00992

M3 - Article

SN - 1549-9618

VL - 16

SP - 2751

EP - 2765

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

IS - 4

ER -