Identification of potential cruzain inhibitors using de novo design, molecular docking and dynamics simulations studies

Shovonlal Bhowmick; Rekha Dhondiram Chorge; Chaitanya Sadashiv Jangam; Lomate Dhanraj Bharatrao; Pritee Chunarkar Patil; Rupesh V. Chikhale; Md Ataul Islam

doi:10.1080/07391102.2019.1664334

Identification of potential cruzain inhibitors using de novo design, molecular docking and dynamics simulations studies

Shovonlal Bhowmick
, Rekha Dhondiram Chorge
, Chaitanya Sadashiv Jangam
, Lomate Dhanraj Bharatrao
, Pritee Chunarkar Patil
, Rupesh V. Chikhale
, Md Ataul Islam

Research output: Contribution to journal › Comment/debate › peer-review

5 Citations (Scopus)

Abstract

Communicated by Ramaswamy H. Sarma.

Original language	English
Pages (from-to)	4005-4015
Number of pages	11
Journal	Journal of Biomolecular Structure and Dynamics
Volume	38
Issue number	13
Early online date	13 Sept 2019
DOIs	https://doi.org/10.1080/07391102.2019.1664334
Publication status	Published - 1 Sept 2020

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10.1080/07391102.2019.1664334

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title = "Identification of potential cruzain inhibitors using de novo design, molecular docking and dynamics simulations studies",

abstract = "Communicated by Ramaswamy H. Sarma.",

author = "Shovonlal Bhowmick and Chorge, \{Rekha Dhondiram\} and Jangam, \{Chaitanya Sadashiv\} and Bharatrao, \{Lomate Dhanraj\} and Patil, \{Pritee Chunarkar\} and Chikhale, \{Rupesh V.\} and Islam, \{Md Ataul\}",

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Identification of potential cruzain inhibitors using de novo design, molecular docking and dynamics simulations studies. / Bhowmick, Shovonlal; Chorge, Rekha Dhondiram; Jangam, Chaitanya Sadashiv et al.
In: Journal of Biomolecular Structure and Dynamics, Vol. 38, No. 13, 01.09.2020, p. 4005-4015.

Research output: Contribution to journal › Comment/debate › peer-review

TY - JOUR

T1 - Identification of potential cruzain inhibitors using de novo design, molecular docking and dynamics simulations studies

AU - Bhowmick, Shovonlal

AU - Chorge, Rekha Dhondiram

AU - Jangam, Chaitanya Sadashiv

AU - Bharatrao, Lomate Dhanraj

AU - Patil, Pritee Chunarkar

AU - Chikhale, Rupesh V.

AU - Islam, Md Ataul

PY - 2020/9/1

Y1 - 2020/9/1

N2 - Communicated by Ramaswamy H. Sarma.

AB - Communicated by Ramaswamy H. Sarma.

UR - https://www.scopus.com/pages/publications/85073782276

U2 - 10.1080/07391102.2019.1664334

DO - 10.1080/07391102.2019.1664334

M3 - Comment/debate

C2 - 31516071

SN - 0739-1102

VL - 38

SP - 4005

EP - 4015

JO - Journal of Biomolecular Structure and Dynamics

JF - Journal of Biomolecular Structure and Dynamics

IS - 13

ER -

Identification of potential cruzain inhibitors using de novo design, molecular docking and dynamics simulations studies

Abstract

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